5-methyl-N-[(3R,5S)-1-[(5-methylfuran-2-yl)methyl]-5-[(propan-2-yl)carbamoyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 772093
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: c1(noc(c1)C)C(=O)N[C@@H]1C[C@H](N(Cc2oc(cc2)C)C1)C(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)[C@@H]1C[C@H](CN1Cc1ccc(o1)C)NC(=O)c1noc(c1)C)C
• InChI: InChI=1S/C19H26N4O4/c1-11(2)20-19(25)17-8-14(21-18(24)16-7-13(4)27-22-16)9-23(17)10-15-6-5-12(3)26-15/h5-7,11,14,17H,8-10H2,1-4H3,(H,20,25)(H,21,24)/t14-,17+/m1/s1
• InChIKey: YWMNZWMHXJPZKN-PBHICJAKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[(3R,5S)-1-[(5-methylfuran-2-yl)methyl]-5-[(propan-2-yl)carbamoyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[(3R,5S)-5-(isopropylcarbamoyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
• Synonyms: (4R)-N-isopropyl-1-[(5-methyl-2-furyl)methyl]-4-{[(5-methylisoxazol-3-yl)carbonyl]amino}-L-prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.528421
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.053050797
• LogD (pH = 7.4): 0.802326
• Log P: 0.82870275
• Molar Refractivity: 100.7079 cm^3
• Polarizability: 37.796665 Å^3
• Polar Surface Area: 100.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.17
• LOG S: -3.1
• Polar Surface Area: 100.61 Å^2
• Rotatable Bonds: 6