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

• ChemBase ID: 364079
• Molecular Formular: C26H28FN3O3
• Molecular Mass: 449.5172232
• Monoisotopic Mass: 449.21146999
• SMILES: c1(nc(c(o1)C)CNC(=O)Cc1ccc(F)cc1)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: O=C(Cc1ccc(cc1)F)NCc1nc(oc1C)c1ccccc1NC(=O)CC1CCCC1
• InChI: InChI=1S/C26H28FN3O3/c1-17-23(16-28-24(31)14-19-10-12-20(27)13-11-19)30-26(33-17)21-8-4-5-9-22(21)29-25(32)15-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H,28,31)(H,29,32)
• InChIKey: NXVQHRIYRDIRJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-(4-fluorophenyl)acetamide
• IUPAC Traditional name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-(4-fluorophenyl)acetamide
• Synonyms: 2-cyclopentyl-N-{2-[4-({[(4-fluorophenyl)acetyl]amino}methyl)-5-methyl-1,3-oxazol-2-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.600467
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.2378397
• LogD (pH = 7.4): 4.23784
• Log P: 4.237843
• Molar Refractivity: 135.3913 cm^3
• Polarizability: 47.692177 Å^3
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.1
• LOG S: -6.91
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 8