N-{[2-(2-cyclobutaneamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 368593
• Molecular Formular: C27H28N4O4
• Molecular Mass: 472.53562
• Monoisotopic Mass: 472.2110554
• SMILES: c1(nc(c(o1)C)CNC(=O)c1ccc(N2C(=O)CCC2)cc1)c1c(NC(=O)C2CCC2)cccc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCCC1=O)NCc1nc(oc1C)c1ccccc1NC(=O)C1CCC1
• InChI: InChI=1S/C27H28N4O4/c1-17-23(16-28-25(33)19-11-13-20(14-12-19)31-15-5-10-24(31)32)30-27(35-17)21-8-2-3-9-22(21)29-26(34)18-6-4-7-18/h2-3,8-9,11-14,18H,4-7,10,15-16H2,1H3,(H,28,33)(H,29,34)
• InChIKey: FAMSKGAUELXPRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-cyclobutaneamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-{[2-(2-cyclobutaneamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-[(2-{2-[(cyclobutylcarbonyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-oxo-1-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.620162
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8105814
• LogD (pH = 7.4): 2.8105822
• Log P: 2.8105848
• Molar Refractivity: 142.8216 cm^3
• Polarizability: 50.1343 Å^3
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.01
• LOG S: -6.71
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 7