N-[(3R,5S)-5-(diethylcarbamoyl)-1-propylpyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

• ChemBase ID: 647341
• Molecular Formular: C18H30N4O3
• Molecular Mass: 350.4558
• Monoisotopic Mass: 350.23179084
• SMILES: c1(c(nc(o1)C)C)C(=O)N[C@@H]1C[C@H](N(C1)CCC)C(=O)N(CC)CC
• Canonical SMILES: CCCN1C[C@@H](C[C@H]1C(=O)N(CC)CC)NC(=O)c1oc(nc1C)C
• InChI: InChI=1S/C18H30N4O3/c1-6-9-22-11-14(10-15(22)18(24)21(7-2)8-3)20-17(23)16-12(4)19-13(5)25-16/h14-15H,6-11H2,1-5H3,(H,20,23)/t14-,15+/m1/s1
• InChIKey: MAPBOWNFWGJSBV-CABCVRRESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,5S)-5-(diethylcarbamoyl)-1-propylpyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• IUPAC Traditional name: N-[(3R,5S)-5-(diethylcarbamoyl)-1-propylpyrrolidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• Synonyms: (4R)-4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}-N,N-diethyl-1-propyl-L-prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.068135
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.607135
• LogD (pH = 7.4): -0.14252818
• Log P: 0.054031346
• Molar Refractivity: 96.4532 cm^3
• Polarizability: 36.82162 Å^3
• Polar Surface Area: 78.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.1
• LOG S: -2.98
• Polar Surface Area: 78.68 Å^2
• Rotatable Bonds: 7