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Analogs

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Popular Name: (1R)-1-(1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1,3-benzoxazol-2-yl)-1-p…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 4.51 -45.85 3 3 1 54 239.298 2 ↓
Hi High (pH 8-9.5) 3.38 4.24 -8.4 2 3 0 52 238.29 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1,3-benzoxazol-2-yl)-1-p…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 4.53 -45.85 3 3 1 54 239.298 2 ↓
Hi High (pH 8-9.5) 3.38 4.3 -6.96 2 3 0 52 238.29 2 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-chloro-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 5.01 -47.84 3 3 1 54 273.743 2 ↓
Hi High (pH 8-9.5) 4.03 4.8 -5.38 2 3 0 52 272.735 2 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-chloro-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 5.04 -47.84 3 3 1 54 273.743 2 ↓
Hi High (pH 8-9.5) 4.03 4.76 -6.53 2 3 0 52 272.735 2 ↓

Analogs

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Popular Name: (1R)-1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1R)-1-(6-methyl-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 5.2 -45.44 3 3 1 54 253.325 2 ↓
Hi High (pH 8-9.5) 3.80 4.93 -8.08 2 3 0 52 252.317 2 ↓

Analogs

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Popular Name: (1S)-1-(6-methyl-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1S)-1-(6-methyl-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 5.21 -45.39 3 3 1 54 253.325 2 ↓
Hi High (pH 8-9.5) 3.80 4.98 -6.68 2 3 0 52 252.317 2 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-methyl-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 4.38 -41.88 3 3 1 54 253.325 2 ↓
Hi High (pH 8-9.5) 3.80 4.12 -6.76 2 3 0 52 252.317 2 ↓

Analogs

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Popular Name: (1S)-1-(5-methyl-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-methyl-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 4.38 -41.9 3 3 1 54 253.325 2 ↓
Hi High (pH 8-9.5) 3.80 4.11 -8.37 2 3 0 52 252.317 2 ↓

Analogs

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Popular Name: (1R)-1-(4-methyl-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1R)-1-(4-methyl-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 4.36 -42.1 3 3 1 54 253.325 2 ↓
Hi High (pH 8-9.5) 3.78 4.08 -8.55 2 3 0 52 252.317 2 ↓

Analogs

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Popular Name: (1S)-1-(4-methyl-1,3-benzoxazol-2-yl)-1-phenyl-ethanamine (1S)-1-(4-methyl-1,3-benzoxazol-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 4.36 -42.11 3 3 1 54 253.325 2 ↓
Hi High (pH 8-9.5) 3.78 4.1 -6.95 2 3 0 52 252.317 2 ↓

Analogs

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Popular Name: (2-benzyl-1,3-benzoxazol-5-yl)methanamine (2-benzyl-1,3-benzoxazol-5-yl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 3.95 -52.93 3 3 1 54 239.298 3 ↓
Hi High (pH 8-9.5) 3.09 3.54 -8.51 2 3 0 52 238.29 3 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-5-amine 2-[(3-chlorophenyl)methyl]-1,3-b…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 4.29 -9.45 2 3 0 52 258.708 2 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine 2-[(3-chlorophenyl)methyl]-1,3-b…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 4.3 -9.11 2 3 0 52 258.708 2 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-1,3-benzoxazole-6-carboxamide 2-[(3-chlorophenyl)methyl]-N-eth…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 5.67 -15.6 1 5 0 67 358.825 6 ↓

Analogs

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Popular Name: 2-(4-Methoxy-benzyl)-benzooxazol-5-ylamine 2-(4-Methoxy-benzyl)-benzooxazol…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 3.06 -11.68 2 4 0 61 254.289 3 ↓

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 -1.36 -19.93 1 7 0 91 368.389 8 ↓

Analogs

12314363
12314363
12835371
12835371

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Popular Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide 2-[(3,4-dimethoxyphenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 -2.91 -15.22 1 7 0 85 370.405 7 ↓

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 -1.52 -18.56 1 6 0 81 372.808 7 ↓

Analogs

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Popular Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-2-[(3-chlorophenyl)methyl]-1,3-benzoxazole-6-carboxamide N-(2-allyl-2-hydroxy-pent-4-enyl…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.01 -2.91 -11.58 2 5 0 75 410.901 9 ↓

Analogs

11873380
11873380

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Popular Name: 2-[(4-chlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-1,3-benzoxazole-5-carboxamide 2-[(4-chlorophenyl)methyl]-N-eth…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 5.66 -16.82 1 5 0 67 358.825 6 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-N-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide N-(2-diethylaminoethyl)-N-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 0.76 -42.51 1 6 1 60 410.538 10 ↓

Analogs

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Popular Name: 2-[(4-methoxyphenyl)methyl]-N-(2-methylprop-2-enyl)-1,3-benzoxazole-6-carboxamide 2-[(4-methoxyphenyl)methyl]-N-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.35 5.57 -12.48 1 5 0 64 336.391 6 ↓

Analogs

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Popular Name: N-isopropyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide N-isopropyl-2-[(4-methoxyphenyl)…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.83 -1.71 -13.61 1 5 0 64 324.38 5 ↓

Analogs

31899296
31899296
34939687
34939687
34939688
34939688
36723679
36723679

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Popular Name: 2-(4-Chlorobenzyl)-1,3-benzoxazol-5-amine 2-(4-Chlorobenzyl)-1,3-benzoxazo…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 4.3 -8.88 2 3 0 52 258.708 2 ↓

Analogs

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Popular Name: 5-Benzoxazolecarboxylic acid, 7-amino-2-(phenylmethyl)-, methyl ester 5-Benzoxazolecarboxylic acid, 7-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 -1.45 -10.57 2 5 0 78 282.299 4 ↓

Analogs

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Popular Name: 2-benzyl-5-methyl-1,3-benzoxazol-7-amine 2-benzyl-5-methyl-1,3-benzoxazol…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 4.45 -8.53 2 3 0 52 238.29 2 ↓

Analogs

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Popular Name: 2-(4-chlorobenzyl)-5-methyl-1,3-benzoxazol-7-amine 2-(4-chlorobenzyl)-5-methyl-1,3-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.44 4.97 -8.44 2 3 0 52 272.735 2 ↓

Analogs

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Popular Name: 2-benzyl-6-bromo-1,3-benzoxazole 2-benzyl-6-bromo-1,3-benzoxazole

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.71 6.54 -5.89 0 2 0 26 288.144 2 ↓

Analogs

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Popular Name: 2-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-6-amine 2-[(2-methoxyphenyl)methyl]-1,3-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 3.16 -10.25 2 4 0 61 254.289 3 ↓

Parameters Provided:

ring.id = 30246
filter.purchasability = annotated
page.format = targets
page.num = 1

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 30246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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