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ZINC Item

Suppliers, Protomers, & Similar Substances

50666942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-2-phenyl-oxazol-4-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]acetamide 2-(5-methyl-2-phenyl-oxazol-4-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	2.47	-15.81	2	6	0	84	311.341	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	3.49	-32.42	3	6	1	85	312.349	6	↓ MOL2 SDF SMILES Flexibase

35635896

Analogs

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Popular Name: 4-(Oxazol-2-yl)aniline 4-(Oxazol-2-yl)aniline

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	0.86	-7.53	2	3	0	52	160.176	1	↓ MOL2 SDF SMILES Flexibase

71494498

Analogs

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Popular Name: 2-(3-bromophenyl)-5-methyl-oxazole 2-(3-bromophenyl)-5-methyl-oxazole

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	4.42	-6.66	0	2	0	26	238.084	1	↓ MOL2 SDF SMILES Flexibase

71494499

Analogs

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Popular Name: 2-(4-bromophenyl)-5-methyl-oxazole 2-(4-bromophenyl)-5-methyl-oxazole

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.18	4.43	-5.37	0	2	0	26	238.084	1	↓ MOL2 SDF SMILES Flexibase

71494500

Analogs

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Popular Name: 2-(2-bromophenyl)-4,5-dimethyl-oxazole 2-(2-bromophenyl)-4,5-dimethyl-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	5.75	-8.25	0	2	0	26	252.111	1	↓ MOL2 SDF SMILES Flexibase

71494501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenyl)-4,5-dimethyl-oxazole 2-(3-bromophenyl)-4,5-dimethyl-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	4.96	-7.31	0	2	0	26	252.111	1	↓ MOL2 SDF SMILES Flexibase

71495625

Analogs

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Popular Name: 2-phenyloxazol-5-amine 2-phenyloxazol-5-amine

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.75	0.02	-7.31	2	3	0	52	160.176	1	↓ MOL2 SDF SMILES Flexibase

71535110

Analogs

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Popular Name: 2-(4-ethylphenyl)-4-methyl-oxazole-5-carboxylic 2-(4-ethylphenyl)-4-methyl-oxazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	5.98	-48.39	0	4	-1	66	230.243	3	↓ MOL2 SDF SMILES Flexibase

71559639

Analogs

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Popular Name: 2-(4-isopropylphenyl)-4-methyl-oxazole-5-carboxylic 2-(4-isopropylphenyl)-4-methyl-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.69	6.46	-48.13	0	4	-1	66	244.27	3	↓ MOL2 SDF SMILES Flexibase

71560450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-dimethylaminophenyl)-4-methyl-oxazole-5-carboxylic 2-(4-dimethylaminophenyl)-4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	4.93	-50.79	0	5	-1	69	245.258	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	5.71	-73.72	1	5	0	71	246.266	3	↓ MOL2 SDF SMILES Flexibase

71561475

Analogs

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Popular Name: 2-(2-ethoxyphenyl)-4-methyl-oxazole-5-carboxylic 2-(2-ethoxyphenyl)-4-methyl-oxaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	5.57	-55.65	0	5	-1	75	246.242	4	↓ MOL2 SDF SMILES Flexibase

71561481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-4-methyl-oxazole-5-carboxylic 2-(4-ethoxyphenyl)-4-methyl-oxaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	4.77	-47.69	0	5	-1	75	246.242	4	↓ MOL2 SDF SMILES Flexibase

71575678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[[5-methyl-2-(4-methylsulfanylphenyl)oxazol-4-yl]methyl]amino]ethanol 2-[methyl-[[5-methyl-2-(4-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	4.32	-36.08	2	4	1	51	293.412	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	1.94	-8.97	1	4	0	49	292.404	6	↓ MOL2 SDF SMILES Flexibase

71576836

Analogs

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Popular Name: 2-(2-chloro-6-fluoro-phenyl)-4-methyl-oxazole-5-carboxylic 2-(2-chloro-6-fluoro-phenyl)-4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	5.35	-53.06	0	4	-1	66	254.624	2	↓ MOL2 SDF SMILES Flexibase

52943848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-2-(2-methoxy-5-methyl-phenyl)oxazole 4-(chloromethyl)-2-(2-methoxy-5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	5.03	-9.32	0	3	0	35	237.686	3	↓ MOL2 SDF SMILES Flexibase

52944084

Analogs

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Popular Name: 2-(2-methoxy-5-methyl-phenyl)oxazole-4-carboxylic 2-(2-methoxy-5-methyl-phenyl)oxa…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	4.37	-55.8	0	5	-1	75	232.215	3	↓ MOL2 SDF SMILES Flexibase

52944085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxy-5-methyl-phenyl)-5-methyl-oxazole-4-carboxylic 2-(2-methoxy-5-methyl-phenyl)-5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	4.74	-57.9	0	5	-1	75	246.242	3	↓ MOL2 SDF SMILES Flexibase

11813467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3-fluorophenyl)-5-methyl-oxazol-4-yl]methyl]-N-methyl-propan-2-amine N-[[2-(3-fluorophenyl)-5-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	1.6	-35.73	1	3	1	30	263.336	4	↓ MOL2 SDF SMILES Flexibase

19726780

Analogs

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Popular Name: 4-(5-methyloxazol-2-yl)aniline 4-(5-methyloxazol-2-yl)aniline

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	1.64	-9.37	2	3	0	52	174.203	1	↓ MOL2 SDF SMILES Flexibase

19726781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-methyl-1,3-oxazol-2-yl)aniline 3-(5-methyl-1,3-oxazol-2-yl)aniline

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	1.65	-8.84	2	3	0	52	174.203	1	↓ MOL2 SDF SMILES Flexibase

19726782

Analogs

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Popular Name: 4-(5-methyloxazol-2-yl)benzoic 4-(5-methyloxazol-2-yl)benzoic

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	4.38	-47.73	0	4	-1	66	202.189	2	↓ MOL2 SDF SMILES Flexibase

19726783

Analogs

39320291
39320631
39321056
39321245

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,5-Dimethyloxazol-2-yl)benzoic acid 4-(4,5-Dimethyloxazol-2-yl)benzo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	4.91	-48.37	0	4	-1	66	216.216	2	↓ MOL2 SDF SMILES Flexibase

19726784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-methyloxazol-2-yl)benzoic 3-(5-methyloxazol-2-yl)benzoic

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	4.36	-53.89	0	4	-1	66	202.189	2	↓ MOL2 SDF SMILES Flexibase

19726785

Analogs

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Popular Name: 3-(4,5-dimethyloxazol-2-yl)benzoic 3-(4,5-dimethyloxazol-2-yl)benzoic

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	4.91	-54.97	0	4	-1	66	216.216	2	↓ MOL2 SDF SMILES Flexibase

53366176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-(2-phenyloxazol-4-yl)acetamide N,N-dimethyl-2-(2-phenyloxazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.47	4.03	-16.35	0	4	0	46	230.267	3	↓ MOL2 SDF SMILES Flexibase

11838999

Analogs

11839001

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[2-[3-(isopropylsulfonylamino)phenyl]-5-methyl-oxazol-4-yl]methyl]-3-methyl-pentanamide (3R)-N-[[2-[3-(isopropylsulfonyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.33	-6.01	-14.25	2	7	0	101	407.536	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.33	-5.43	-42.28	1	7	-1	103	406.528	9	↓ MOL2 SDF SMILES Flexibase

11839001

Analogs

11838999

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Popular Name: (3S)-N-[[2-[3-(isopropylsulfonylamino)phenyl]-5-methyl-oxazol-4-yl]methyl]-3-methyl-pentanamide (3S)-N-[[2-[3-(isopropylsulfonyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.33	-5.8	-14.58	2	7	0	101	407.536	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.33	-5.22	-42.66	1	7	-1	103	406.528	9	↓ MOL2 SDF SMILES Flexibase

11841335

Analogs

14949579

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2,3-difluorophenyl)-5-methyl-oxazol-4-yl]methyl-isopropyl-amino]ethanol 2-[[2-(2,3-difluorophenyl)-5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	1.14	-38.84	2	4	1	51	311.352	6	↓ MOL2 SDF SMILES Flexibase

11842248

Analogs

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Popular Name: N-ethyl-N-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-2-methyl-prop-2-en-1-amine N-ethyl-N-[[2-(4-methoxy-3-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.41	1.89	-36.21	1	4	1	40	315.437	7	↓ MOL2 SDF SMILES Flexibase

11842927

Analogs

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Popular Name: N-ethyl-N-[[2-(4-fluorophenyl)-5-methyl-oxazol-4-yl]methyl]-2-methyl-prop-2-en-1-amine N-ethyl-N-[[2-(4-fluorophenyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	2.35	-36.06	1	3	1	30	289.374	6	↓ MOL2 SDF SMILES Flexibase

11843728

Analogs

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Popular Name: 2-[[2-(2,4-difluorophenyl)-5-methyl-oxazol-4-yl]methyl-isopropyl-amino]ethanol 2-[[2-(2,4-difluorophenyl)-5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	1.13	-36.87	2	4	1	51	311.352	6	↓ MOL2 SDF SMILES Flexibase

11844076

Analogs

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Popular Name: N-ethyl-N-[[2-(4-methoxy-2,3-dimethyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-2-methyl-prop-2-en-1-amin N-ethyl-N-[[2-(4-methoxy-2,3-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.79	2.15	-36.19	1	4	1	40	329.464	7	↓ MOL2 SDF SMILES Flexibase

11844102

Analogs

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Popular Name: N-[[2-(3-fluorophenyl)-5-methyl-oxazol-4-yl]methyl]-2-methoxy-N-methyl-ethanamine N-[[2-(3-fluorophenyl)-5-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	0.8	-38.22	1	4	1	40	279.335	6	↓ MOL2 SDF SMILES Flexibase

53496541

Analogs

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Popular Name: N-methoxy-2-(2-phenyloxazol-4-yl)acetamide N-methoxy-2-(2-phenyloxazol-4-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	3.03	-19.99	1	5	0	64	232.239	4	↓ MOL2 SDF SMILES Flexibase

11997929

Analogs

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Popular Name: N-ethyl-N-[[2-(2-fluoro-4-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-2-methyl-prop-2-en-1-amine N-ethyl-N-[[2-(2-fluoro-4-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.13	2.99	-33.75	1	4	1	40	319.4	7	↓ MOL2 SDF SMILES Flexibase

20241078

Analogs

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Popular Name: N-(2,2-diethoxyethyl)-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]acetamide N-(2,2-diethoxyethyl)-2-[[2-(3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.55	5.07	-18.1	1	8	0	92	438.546	13	↓ MOL2 SDF SMILES Flexibase

20241131

Analogs

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Popular Name: N-(3-butylsulfanylpropyl)-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]acetamide N-(3-butylsulfanylpropyl)-2-[[2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	8.52	-19.66	1	6	0	74	452.642	14	↓ MOL2 SDF SMILES Flexibase

20241143

Analogs

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Popular Name: 2-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-N-(2,2-dimethoxyethyl)acetamide 2-[[2-(4-chlorophenyl)-5-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.83	4.35	-15.06	1	6	0	74	384.885	9	↓ MOL2 SDF SMILES Flexibase

20241540

Analogs

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Popular Name: 2-[(S)-[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]-N-(2,2-diethoxyethyl)acetamide 2-[(S)-[2-(4-chlorophenyl)-5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	3.79	-26.37	1	7	0	91	428.938	11	↓ MOL2 SDF SMILES Flexibase

20241542

Analogs

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Popular Name: 2-[(R)-[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]-N-(2,2-diethoxyethyl)acetamide 2-[(R)-[2-(4-chlorophenyl)-5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	3.79	-18.19	1	7	0	91	428.938	11	↓ MOL2 SDF SMILES Flexibase

20241688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-diethoxyethyl)-2-[(S)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]acetamide N-(2,2-diethoxyethyl)-2-[(S)-[2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	2.66	-22.78	1	9	0	109	454.545	13	↓ MOL2 SDF SMILES Flexibase

20241690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-diethoxyethyl)-2-[(R)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]acetamide N-(2,2-diethoxyethyl)-2-[(R)-[2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	2.58	-30.63	1	9	0	109	454.545	13	↓ MOL2 SDF SMILES Flexibase

20241696

Analogs

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Popular Name: N-(2-diethylaminoethyl)-2-[(S)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]acetamid N-(2-diethylaminoethyl)-2-[(S)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	4.23	-58.07	2	8	1	95	438.57	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	1.92	-24.96	1	8	0	94	437.562	12	↓ MOL2 SDF SMILES Flexibase

20241698

Analogs

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Popular Name: N-(2-diethylaminoethyl)-2-[(R)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]acetamid N-(2-diethylaminoethyl)-2-[(R)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	4.16	-66.64	2	8	1	95	438.57	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	1.84	-32.74	1	8	0	94	437.562	12	↓ MOL2 SDF SMILES Flexibase

20241708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-2-[(S)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]acetamide N-(2,2-dimethoxyethyl)-2-[(S)-[2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.27	0.73	-22.15	1	9	0	109	426.491	11	↓ MOL2 SDF SMILES Flexibase

20241710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-2-[(R)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]acetamide N-(2,2-dimethoxyethyl)-2-[(R)-[2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.27	0.67	-29.95	1	9	0	109	426.491	11	↓ MOL2 SDF SMILES Flexibase

20241727

Analogs

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Popular Name: 2-[(R)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]-N-(3-isopropoxypropyl)acetamide 2-[(R)-[2-(3,4-dimethoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	3.12	-30.64	1	8	0	100	438.546	12	↓ MOL2 SDF SMILES Flexibase

20241729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(S)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]-N-(3-isopropoxypropyl)acetamide 2-[(S)-[2-(3,4-dimethoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	3.18	-22.76	1	8	0	100	438.546	12	↓ MOL2 SDF SMILES Flexibase

20241736

Analogs

4078019

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(butyl-ethyl-amino)propyl]-2-[(S)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl] N-[3-(butyl-ethyl-amino)propyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	6.51	-61.76	2	8	1	95	480.651	15	↓ MOL2 SDF SMILES Flexibase

20241738

Analogs

4078019

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(butyl-ethyl-amino)propyl]-2-[(R)-[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl] N-[3-(butyl-ethyl-amino)propyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	6.44	-69.22	2	8	1	95	480.651	15	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "13340"        

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