N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-methoxy-2-phenylacetamide

• ChemBase ID: 469301
• Molecular Formular: C27H31N3O4
• Molecular Mass: 461.55274
• Monoisotopic Mass: 461.23145649
• SMILES: c1(nc(c(o1)C)CNC(=O)C(c1ccccc1)OC)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: COC(c1ccccc1)C(=O)NCc1nc(oc1C)c1ccccc1NC(=O)CC1CCCC1
• InChI: InChI=1S/C27H31N3O4/c1-18-23(17-28-26(32)25(33-2)20-12-4-3-5-13-20)30-27(34-18)21-14-8-9-15-22(21)29-24(31)16-19-10-6-7-11-19/h3-5,8-9,12-15,19,25H,6-7,10-11,16-17H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: JEKZRUFUNMTLHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-methoxy-2-phenylacetamide
• IUPAC Traditional name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-methoxy-2-phenylacetamide
• Synonyms: N-[(2-{2-[(cyclopentylacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2-methoxy-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.455436
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.0231056
• LogD (pH = 7.4): 4.0231056
• Log P: 4.023109
• Molar Refractivity: 141.2643 cm^3
• Polarizability: 50.561714 Å^3
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.93
• LOG S: -6.0
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 8