N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide

• ChemBase ID: 360724
• Molecular Formular: C26H34N4O4
• Molecular Mass: 466.57256
• Monoisotopic Mass: 466.25800559
• SMILES: c1(nc(c(o1)C)CNC(=O)C1CN(C(=O)C1)C(C)C)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: O=C(Nc1ccccc1c1nc(c(o1)C)CNC(=O)C1CC(=O)N(C1)C(C)C)CC1CCCC1
• InChI: InChI=1S/C26H34N4O4/c1-16(2)30-15-19(13-24(30)32)25(33)27-14-22-17(3)34-26(29-22)20-10-6-7-11-21(20)28-23(31)12-18-8-4-5-9-18/h6-7,10-11,16,18-19H,4-5,8-9,12-15H2,1-3H3,(H,27,33)(H,28,31)
• InChIKey: RSQLAEVMEIXJFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-1-isopropyl-5-oxopyrrolidine-3-carboxamide
• Synonyms: N-[(2-{2-[(cyclopentylacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.699309
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2802453
• LogD (pH = 7.4): 2.2802465
• Log P: 2.2802486
• Molar Refractivity: 140.2172 cm^3
• Polarizability: 49.98256 Å^3
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.66
• LOG S: -5.23
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 7