ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

11812799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[(2,3-difluorophenoxy)methyl]oxazole-4-carboxamide N-allyl-2-[(2,3-difluorophenoxy)…

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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)	2.42	-0.58	-14.52	1	5	0	64	294.257	6	↓ MOL2 SDF SMILES Flexibase

11813970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-N-methyl-oxazole-4-carboxamide 2-[(2-methoxy-4-methyl-phenoxy)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)	1.59	-1.95	-12.22	1	6	0	74	276.292	5	↓ MOL2 SDF SMILES Flexibase

11818366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenoxy)methyl]-N-isopentyl-N-methyl-oxazole-4-carboxamide 2-[(4-fluorophenoxy)methyl]-N-is…

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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)	3.61	1.73	-9.6	0	5	0	56	320.364	7	↓ MOL2 SDF SMILES Flexibase

11838419

Analogs

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Popular Name: methyl 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)	2.28	0.6	-12.67	1	7	0	91	358.272	8	↓ MOL2 SDF SMILES Flexibase

11838614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-N-methyl-N-(2-methylprop-2-enyl)oxazole-4-carboxamide 2-[(2-methoxy-4-methyl-phenoxy)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)	3.02	1.87	-11.57	0	6	0	65	330.384	7	↓ MOL2 SDF SMILES Flexibase

11839208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.80	-1.04	-11.95	1	8	0	100	334.328	8	↓ MOL2 SDF SMILES Flexibase

11840929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.58	-0.84	-11.29	1	7	0	91	308.265	7	↓ MOL2 SDF SMILES Flexibase

11842616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-oxazole-4-carboxamide 2-[(2-chloro-4-fluoro-phenoxy)me…

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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	0.61	-11.2	0	6	0	65	342.754	7	↓ MOL2 SDF SMILES Flexibase

11843528

Analogs

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Popular Name: ethyl ethyl

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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)	2.15	2.46	-16.92	0	7	0	82	336.319	8	↓ MOL2 SDF SMILES Flexibase

12001047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-[(3-methoxyphenoxy)methyl]-N-methyl-oxazole-4-carboxamide N-isopropyl-2-[(3-methoxyphenoxy…

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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	0.73	-11.4	0	6	0	65	304.346	6	↓ MOL2 SDF SMILES Flexibase

71595195

Analogs

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Popular Name: 2-[(2-ethoxyphenoxy)methyl]oxazole-4-carboxylic 2-[(2-ethoxyphenoxy)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)	1.92	3.84	-55.73	0	6	-1	85	262.241	6	↓ MOL2 SDF SMILES Flexibase

71595196

Analogs

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Popular Name: 2-[(3-ethoxyphenoxy)methyl]oxazole-4-carboxylic 2-[(3-ethoxyphenoxy)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)	2.34	3.25	-53.76	0	6	-1	85	262.241	6	↓ MOL2 SDF SMILES Flexibase

71595197

Analogs

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Popular Name: 2-[(4-ethoxyphenoxy)methyl]oxazole-4-carboxylic 2-[(4-ethoxyphenoxy)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)	2.36	3.23	-51.52	0	6	-1	85	262.241	6	↓ MOL2 SDF SMILES Flexibase

12209648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenoxy)methyl]-N-(2-methoxyethyl)oxazole-4-carboxamide 2-[(2-chloro-4-fluoro-phenoxy)me…

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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)	2.30	-2.52	-11.72	1	6	0	74	328.727	7	↓ MOL2 SDF SMILES Flexibase

12227547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,3-difluorophenoxy)methyl]-N-isobutyl-N-methyl-oxazole-4-carboxamide 2-[(2,3-difluorophenoxy)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)	3.15	2.24	-14.32	0	5	0	56	324.327	6	↓ MOL2 SDF SMILES Flexibase

12228568

Analogs

11956500

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[(2-fluorophenoxy)methyl]-N-(2-methylprop-2-enyl)oxazole-4-carboxamide N-ethyl-2-[(2-fluorophenoxy)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)	3.48	2.64	-11.61	0	5	0	56	318.348	7	↓ MOL2 SDF SMILES Flexibase

60532671

Analogs

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Popular Name: 2-[(4,5-dimethyloxazol-2-yl)methoxy]benzamide 2-[(4,5-dimethyloxazol-2-yl)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)	1.88	1.91	-18.65	2	5	0	78	246.266	4	↓ MOL2 SDF SMILES Flexibase

60533297

Analogs

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Popular Name: methyl 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)	2.73	4.51	-11	0	5	0	62	261.277	5	↓ MOL2 SDF SMILES Flexibase

351824

Analogs

33701336
33701549
33701551

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethylamino)-2-[(2-methylphenoxy)methyl]oxazole-4-carbonitrile 5-(ethylamino)-2-[(2-methylpheno…

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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)	2.87	-1.22	-8.95	1	5	0	71	257.293	5	↓ MOL2 SDF SMILES Flexibase

351825

Analogs

33701551

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethylamino)-2-[(3-methylphenoxy)methyl]oxazole-4-carbonitrile 5-(ethylamino)-2-[(3-methylpheno…

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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)	2.89	2.81	-9.14	1	5	0	71	257.293	5	↓ MOL2 SDF SMILES Flexibase

4168463

Analogs

33701551

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile 5-(ethylamino)-2-(phenoxymethyl)…

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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)	2.47	-1.62	-8.98	1	5	0	71	243.266	5	↓ MOL2 SDF SMILES Flexibase

69161137

Analogs

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Popular Name: 2-[(5-tert-butyloxazol-2-yl)methoxy]-4-methyl-benzamide 2-[(5-tert-butyloxazol-2-yl)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)	3.81	3.96	-16.85	2	5	0	78	288.347	5	↓ MOL2 SDF SMILES Flexibase

69775922

Analogs

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Popular Name: 3-ethoxy-4-[(5-isopropyloxazol-2-yl)methoxy]benzonitrile 3-ethoxy-4-[(5-isopropyloxazol-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)	3.12	5.95	-11.79	0	5	0	68	286.331	6	↓ MOL2 SDF SMILES Flexibase

67473008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-isopropyl-2-[(4-methoxyphenoxy)methyl]oxazole-4-carboxamide N-ethyl-N-isopropyl-2-[(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)	2.90	5.67	-10.09	0	6	0	65	318.373	7	↓ MOL2 SDF SMILES Flexibase

67491009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-[(2-fluorophenoxy)methyl]-N-methyl-oxazole-4-carboxamide N-(2-dimethylaminoethyl)-2-[(2-f…

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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)	1.94	5.9	-42.7	1	6	1	60	322.36	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.94	3.43	-12.94	0	6	0	59	321.352	7	↓ MOL2 SDF SMILES Flexibase

48785677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,5-dimethyloxazol-2-yl)methoxy]-3-ethoxy-benzonitrile 4-[(4,5-dimethyloxazol-2-yl)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	5.07	-12.92	0	5	0	68	272.304	5	↓ MOL2 SDF SMILES Flexibase

49302753

Analogs

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Popular Name: 2-[(3-chloro-4-nitro-phenoxy)methyl]-4,5-dimethyl-oxazole 2-[(3-chloro-4-nitro-phenoxy)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)	3.13	4.93	-12.38	0	6	0	81	282.683	4	↓ MOL2 SDF SMILES Flexibase

37224434

Analogs

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Popular Name: 4-[(5-tert-butyloxazol-2-yl)methoxy]benzoic 4-[(5-tert-butyloxazol-2-yl)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)	3.97	5.79	-50.71	0	5	-1	75	274.296	5	↓ MOL2 SDF SMILES Flexibase

37224455

Analogs

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Popular Name: 3-[(5-tert-butyloxazol-2-yl)methoxy]benzoic 3-[(5-tert-butyloxazol-2-yl)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)	3.95	5.79	-55.61	0	5	-1	75	274.296	5	↓ MOL2 SDF SMILES Flexibase

37224501

Analogs

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Popular Name: 2-[(5-tert-butyloxazol-2-yl)methoxy]benzoic 2-[(5-tert-butyloxazol-2-yl)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)	4.01	6.54	-63.02	0	5	-1	75	274.296	5	↓ MOL2 SDF SMILES Flexibase

37224531

Analogs

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Popular Name: 2-[4-[(5-tert-butyloxazol-2-yl)methoxy]phenyl]acetic 2-[4-[(5-tert-butyloxazol-2-yl)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)	3.49	6.56	-48.98	0	5	-1	75	288.323	6	↓ MOL2 SDF SMILES Flexibase

49373269

Analogs

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Popular Name: 2-bromo-4-[(4,5-dimethyloxazol-2-yl)methoxy]-5-methoxy-benzaldehyde 2-bromo-4-[(4,5-dimethyloxazol-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)	2.68	4.12	-14.18	0	5	0	62	340.173	5	↓ MOL2 SDF SMILES Flexibase

49373351

Analogs

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Popular Name: 2-[(2,6-dibromophenoxy)methyl]-4,5-dimethyl-oxazole 2-[(2,6-dibromophenoxy)methyl]-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)	4.08	5.33	-8.95	0	3	0	35	361.033	3	↓ MOL2 SDF SMILES Flexibase

49373640

Analogs

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Popular Name: 2-[(3-fluoro-4-nitro-phenoxy)methyl]-4,5-dimethyl-oxazole 2-[(3-fluoro-4-nitro-phenoxy)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)	2.61	4.57	-13.81	0	6	0	81	266.228	4	↓ MOL2 SDF SMILES Flexibase

49373690

Analogs

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Popular Name: 4-[(4,5-dimethyloxazol-2-yl)methoxy]-3-nitro-benzonitrile 4-[(4,5-dimethyloxazol-2-yl)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)	2.20	5.72	-18.7	0	7	0	105	273.248	4	↓ MOL2 SDF SMILES Flexibase

67540074

Analogs

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Popular Name: 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(methylamino)-2-oxo-ethyl]oxazole-4-carboxamide 2-[(3-fluorophenoxy)methyl]-N-me…

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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)	1.54	2.49	-17.65	1	7	0	85	321.308	6	↓ MOL2 SDF SMILES Flexibase

67540719

Analogs

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Popular Name: 2-[(2-chloro-4-fluoro-phenoxy)methyl]-N-[(1S)-1-(hydroxymethyl)propyl]oxazole-4-carboxamide 2-[(2-chloro-4-fluoro-phenoxy)me…

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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	0.7	-11.42	2	6	0	85	342.754	7	↓ MOL2 SDF SMILES Flexibase

37729818

Analogs

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Popular Name: 2-[(5-tert-butyloxazol-2-yl)methoxy]-3-methyl-benzoic 2-[(5-tert-butyloxazol-2-yl)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)	4.41	7.2	-58.94	0	5	-1	75	288.323	5	↓ MOL2 SDF SMILES Flexibase

67726845

Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-2-[(3-fluorophenoxy)methyl]-N-methyl-oxazole-4-carboxamide N-[(1R)-1,2-dimethylpropyl]-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)	3.39	6.85	-10.93	0	5	0	56	320.364	6	↓ MOL2 SDF SMILES Flexibase

67726850

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-2-[(3-fluorophenoxy)methyl]-N-methyl-oxazole-4-carboxamide N-[(1S)-1,2-dimethylpropyl]-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)	3.39	6.79	-10.81	0	5	0	56	320.364	6	↓ MOL2 SDF SMILES Flexibase

67727465

Analogs

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Popular Name: 2-[(4-fluorophenoxy)methyl]-N-(3-hydroxy-3-methyl-butyl)-N-methyl-oxazole-4-carboxamide 2-[(4-fluorophenoxy)methyl]-N-(3…

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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)	2.41	3.35	-10.29	1	6	0	76	336.363	7	↓ MOL2 SDF SMILES Flexibase

67740529

Analogs

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Popular Name: 2-[[3-(trifluoromethyl)phenoxy]methyl]oxazole-4-carboxylic 2-[[3-(trifluoromethyl)phenoxy]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)	2.80	4.04	-52.26	0	5	-1	75	286.185	5	↓ MOL2 SDF SMILES Flexibase

67743719

Analogs

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Popular Name: N-[(1S)-1-(hydroxymethyl)propyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]oxazole-4-carboxamide N-[(1S)-1-(hydroxymethyl)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)	2.65	1.08	-11.56	2	6	0	85	358.316	8	↓ MOL2 SDF SMILES Flexibase

67754317

Analogs

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Popular Name: 2-[(2-chloro-4-fluoro-phenoxy)methyl]-N-methyl-N-propyl-oxazole-4-carboxamide 2-[(2-chloro-4-fluoro-phenoxy)me…

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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)	3.44	5.91	-11.38	0	5	0	56	326.755	6	↓ MOL2 SDF SMILES Flexibase

67754717

Analogs

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Popular Name: N-allyl-2-[(4-methoxyphenoxy)methyl]-N-methyl-oxazole-4-carboxamide N-allyl-2-[(4-methoxyphenoxy)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)	2.50	4.38	-10.35	0	6	0	65	302.33	7	↓ MOL2 SDF SMILES Flexibase

67946570

Analogs

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Popular Name: 2-[(4-fluorophenoxy)methyl]oxazole-4-carboxylic 2-[(4-fluorophenoxy)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)	2.09	3.09	-50.24	0	5	-1	75	236.178	4	↓ MOL2 SDF SMILES Flexibase

67954254

Analogs

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Popular Name: N-allyl-2-[(2-chloro-4-fluoro-phenoxy)methyl]-N-methyl-oxazole-4-carboxamide N-allyl-2-[(2-chloro-4-fluoro-ph…

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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)	3.21	5.71	-11.28	0	5	0	56	324.739	6	↓ MOL2 SDF SMILES Flexibase

67982621

Analogs

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Popular Name: N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-2-[(2-methoxy-4-methyl-phenoxy)methyl]oxazole-4-carboxamide N-[(1S)-2-amino-1-methyl-2-oxo-e…

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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)	1.21	-0.89	-16.28	3	8	0	117	333.344	7	↓ MOL2 SDF SMILES Flexibase

67982831

Analogs

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Popular Name: 2-[(2,3-difluorophenoxy)methyl]-N-[(1S)-1-(methylcarbamoyl)propyl]oxazole-4-carboxamide 2-[(2,3-difluorophenoxy)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)	1.75	0.8	-18.29	2	7	0	93	353.325	7	↓ MOL2 SDF SMILES Flexibase

67982832

Analogs

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Popular Name: 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(methylcarbamoyl)propyl]oxazole-4-carboxamide 2-[(2,3-difluorophenoxy)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)	1.75	0.8	-18.9	2	7	0	93	353.325	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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