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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-thienyl)oxazole-5-carbaldehyde 2-(2-thienyl)oxazole-5-carbaldehyde

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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) 1.96 2.32 -12 0 3 0 43 179.2 2 ↓

Analogs

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Popular Name: 4-methyl-2-(2-thienyl)oxazole-5-carboxylic 4-methyl-2-(2-thienyl)oxazole-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 3.46 -48.67 0 4 -1 66 208.218 2 ↓

Analogs

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Popular Name: (2R)-2-acetamido-N-[[2-(2-thienyl)oxazol-4-yl]methyl]propanamide (2R)-2-acetamido-N-[[2-(2-thieny…

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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) 0.52 0.15 -14.03 2 6 0 84 293.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[[2-(2-thienyl)oxazol-4-yl]methyl]propanamide (2S)-2-acetamido-N-[[2-(2-thieny…

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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) 0.52 0.15 -15.04 2 6 0 84 293.348 5 ↓

Analogs

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Popular Name: N-methyl-N-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]ethane-1,2-diamine N-methyl-N-[[5-methyl-2-(2-thien…

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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) 1.00 0.5 -49.9 3 4 1 57 252.363 5 ↓
Lo Low (pH 4.5-6) 1.00 2.88 -121.4 4 4 2 58 253.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[2-(2-thienyl)oxazol-4-yl]methyl]ethane-1,2-diamine N-methyl-N-[[2-(2-thienyl)oxazol…

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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) 0.78 -0.54 -47.32 3 4 1 57 238.336 5 ↓
Lo Low (pH 4.5-6) 0.78 1.8 -118.18 4 4 2 58 239.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]propanoic (2S)-2-[[2-(2-thienyl)oxazol-4-y…

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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) 2.27 5.2 -51.83 0 4 -1 66 268.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]propanoic (2R)-2-[[2-(2-thienyl)oxazol-4-y…

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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) 2.27 5.17 -52.53 0 4 -1 66 268.339 5 ↓

Analogs

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Popular Name: 3-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]propanoic 3-[[5-methyl-2-(2-thienyl)oxazol…

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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) 2.40 6.14 -48.41 0 4 -1 66 282.366 6 ↓

Analogs

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Popular Name: 5-(2-propoxyethyl)-2-(2-thienyl)oxazole-4-carboxylic 5-(2-propoxyethyl)-2-(2-thienyl)…

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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) 3.02 4.81 -53.21 0 5 -1 75 280.325 7 ↓

Analogs

23371943
23371943
26258966
26258966
26262407
26262407

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Popular Name: N-tert-butyl-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-tert-butyl-2-[5-methyl-2-(2-th…

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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) 2.86 3.59 -16.39 1 4 0 55 278.377 4 ↓

Analogs

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Popular Name: N-(1-ethylpropyl)-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-(1-ethylpropyl)-2-[5-methyl-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) 3.42 4.76 -16.38 1 4 0 55 292.404 6 ↓

Analogs

23013368
23013368

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Popular Name: N-isopropyl-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-isopropyl-2-[5-methyl-2-(2-thi…

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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) 2.35 3.22 -15.73 1 4 0 55 264.35 4 ↓

Analogs

23371987
23371987
42925362
42925362

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-isopentyl-2-[5-methyl-2-(2-thi…

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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) 3.33 4.37 -17.25 1 4 0 55 292.404 6 ↓

Analogs

42925362
42925362
23371968
23371968

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-butyl-2-[5-methyl-2-(2-thienyl…

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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) 3.11 3.9 -17.28 1 4 0 55 278.377 6 ↓

Analogs

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Popular Name: N-(3-acetamidopropyl)-5-methyl-2-(2-thienyl)oxazole-4-carboxamide N-(3-acetamidopropyl)-5-methyl-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) 1.00 0.98 -14.56 2 6 0 84 307.375 6 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-methyl-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-(2-amino-2-oxo-ethyl)-N-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) 0.65 0.93 -23.46 2 6 0 89 293.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[2-(2-thienyl)oxazol-4-yl]methylsulfonyl]ethoxy]ethanol 2-[2-[[2-(2-thienyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 -2.13 -21.64 1 6 0 90 317.388 8 ↓

Analogs

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Popular Name: 5-methyl-4-(1-propylbutylsulfonylmethyl)-2-(2-thienyl)oxazole 5-methyl-4-(1-propylbutylsulfony…

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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) 4.62 5.33 -18.29 0 4 0 60 341.498 8 ↓

Analogs

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Popular Name: 2-ethoxy-N'-[2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetyl]acetohydrazide 2-ethoxy-N'-[2-[5-methyl-2-(2-th…

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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) 1.12 2.15 -19.12 2 7 0 93 323.374 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-formamido-3-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[2-(2-thieny…

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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) -0.39 3.32 -55.53 1 6 -1 95 311.364 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-formamido-3-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[2-(2-thieny…

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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) -0.39 3.31 -57.47 1 6 -1 95 311.364 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-formamido-3-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[5-methyl-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) -0.17 4.13 -57.69 1 6 -1 95 325.391 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-formamido-3-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[5-methyl-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) -0.17 4.12 -55.05 1 6 -1 95 325.391 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) 1.39 2.47 -10.85 2 5 0 78 298.389 7 ↓
Lo Low (pH 4.5-6) 1.39 2.81 -45.92 3 5 1 80 299.397 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) 1.39 2.52 -11.26 2 5 0 78 298.389 7 ↓
Lo Low (pH 4.5-6) 1.39 2.82 -43.78 3 5 1 80 299.397 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) 1.61 3.33 -10.85 2 5 0 78 312.416 7 ↓
Lo Low (pH 4.5-6) 1.61 3.62 -46.51 3 5 1 80 313.424 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) 1.61 3.27 -11.39 2 5 0 78 312.416 7 ↓
Lo Low (pH 4.5-6) 1.61 3.61 -44.67 3 5 1 80 313.424 7 ↓

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 3.4 -10.6 2 5 0 78 312.416 8 ↓
Mid Mid (pH 6-8) 1.76 3.74 -45.7 3 5 1 80 313.424 8 ↓

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 3.45 -11.02 2 5 0 78 312.416 8 ↓
Mid Mid (pH 6-8) 1.76 3.75 -43.55 3 5 1 80 313.424 8 ↓

Analogs

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Popular Name: 2-(2,2,2-trifluoroethoxy)ethyl 2-(2,2,2-trifluoroethoxy)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) 3.15 5.63 -15.48 0 5 0 62 349.33 9 ↓

Analogs

46830218
46830218
46830220
46830220

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-5-methyl-2-(2-thienyl)oxazole-4-carboxamide N-[(1S)-2-(tert-butylamino)-1-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) 2.21 2.5 -11.51 2 6 0 84 335.429 5 ↓

Analogs

46830218
46830218
46830220
46830220

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-5-methyl-2-(2-thienyl)oxazole-4-carboxamide N-[(1R)-2-(tert-butylamino)-1-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) 2.21 2.5 -11.49 2 6 0 84 335.429 5 ↓

Analogs

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Popular Name: (2S)-2,4-dimethyl-2-[[2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetyl]amino]pentanamide (2S)-2,4-dimethyl-2-[[2-[5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 3.09 -22.87 3 6 0 98 349.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,4-dimethyl-2-[[2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetyl]amino]pentanamide (2R)-2,4-dimethyl-2-[[2-[5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 1.54 -22.85 3 6 0 98 349.456 7 ↓

Analogs

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Popular Name: N-[2-[ethyl(methyl)amino]ethyl]-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-[2-[ethyl(methyl)amino]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) 2.08 4.3 -49.08 2 5 1 60 308.427 7 ↓

Analogs

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Popular Name: N-[(1S)-1-cyanopropyl]-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-[(1S)-1-cyanopropyl]-2-[5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 3.79 -20.47 1 5 0 79 289.36 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyanopropyl]-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-[(1R)-1-cyanopropyl]-2-[5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 3.79 -18.21 1 5 0 79 289.36 5 ↓

Analogs

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Popular Name: N,5-dimethyl-N-[(1S)-1-methyl-2-methylsulfonyl-ethyl]-2-(2-thienyl)oxazole-4-carboxamide N,5-dimethyl-N-[(1S)-1-methyl-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) 1.56 3.66 -21.52 0 6 0 80 342.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,5-dimethyl-N-[(1R)-1-methyl-2-methylsulfonyl-ethyl]-2-(2-thienyl)oxazole-4-carboxamide N,5-dimethyl-N-[(1R)-1-methyl-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) 1.56 3.85 -21.04 0 6 0 80 342.442 5 ↓

Analogs

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Popular Name: N-[2-[methyl-[(1R)-1-methylpropyl]amino]ethyl]-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-[2-[methyl-[(1R)-1-methylpropy…

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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) 2.91 5.44 -47.62 2 5 1 60 336.481 8 ↓

Analogs

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Popular Name: N-[2-[methyl-[(1S)-1-methylpropyl]amino]ethyl]-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]acetamide N-[2-[methyl-[(1S)-1-methylpropy…

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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) 2.91 5.42 -47.61 2 5 1 60 336.481 8 ↓

Analogs

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Popular Name: (2R)-N-propyl-2-[(S)-[2-(2-thienyl)oxazol-4-yl]methylsulfinyl]propanamide (2R)-N-propyl-2-[(S)-[2-(2-thien…

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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) 1.48 1.66 -25.97 1 5 0 72 326.443 7 ↓

Analogs

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Popular Name: (2S)-N-propyl-2-[(S)-[2-(2-thienyl)oxazol-4-yl]methylsulfinyl]propanamide (2S)-N-propyl-2-[(S)-[2-(2-thien…

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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) 1.48 2.79 -31.23 1 5 0 72 326.443 7 ↓

Analogs

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Popular Name: (2R)-N-propyl-2-[(R)-[2-(2-thienyl)oxazol-4-yl]methylsulfinyl]propanamide (2R)-N-propyl-2-[(R)-[2-(2-thien…

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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) 1.48 2.83 -21.93 1 5 0 72 326.443 7 ↓

Analogs

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Popular Name: (2S)-N-propyl-2-[(R)-[2-(2-thienyl)oxazol-4-yl]methylsulfinyl]propanamide (2S)-N-propyl-2-[(R)-[2-(2-thien…

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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) 1.48 1.65 -18.37 1 5 0 72 326.443 7 ↓

Analogs

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Popular Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methanamine [5-methyl-2-(2-thienyl)oxazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 0.69 -46.67 3 3 1 54 195.267 2 ↓
Hi High (pH 8-9.5) 1.57 0.29 -7.64 2 3 0 52 194.259 2 ↓

Analogs

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Popular Name: 1-[5-methyl-2-(2-thienyl)oxazol-4-yl]ethanone 1-[5-methyl-2-(2-thienyl)oxazol-…

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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) 2.29 3.43 -6.87 0 3 0 43 207.254 2 ↓

Analogs

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Popular Name: N,N'-dimethyl-N'-[[2-(2-thienyl)oxazol-4-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N'-[[2-(2-thienyl)…

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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) 1.76 1.34 -42.66 2 4 1 46 252.363 6 ↓
Hi High (pH 8-9.5) 1.76 -0.11 -8.25 1 4 0 41 251.355 6 ↓
Lo Low (pH 4.5-6) 1.76 3.66 -113.91 3 4 2 47 253.371 6 ↓

Analogs

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Popular Name: N,N'-dimethyl-N-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N-[[5-methyl-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 2.38 -45.04 2 4 1 46 266.39 6 ↓
Hi High (pH 8-9.5) 1.98 0.93 -7.5 1 4 0 41 265.382 6 ↓
Lo Low (pH 4.5-6) 1.98 4.75 -116.97 3 4 2 47 267.398 6 ↓

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