N-{[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-phenylbutanamide

• ChemBase ID: 369036
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c1(nc(c(o1)C)CNC(=O)CCCc1ccccc1)c1c(NC(=O)C)cccc1
• Canonical SMILES: O=C(NCc1nc(oc1C)c1ccccc1NC(=O)C)CCCc1ccccc1
• InChI: InChI=1S/C23H25N3O3/c1-16-21(15-24-22(28)14-8-11-18-9-4-3-5-10-18)26-23(29-16)19-12-6-7-13-20(19)25-17(2)27/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3,(H,24,28)(H,25,27)
• InChIKey: FIAGBJZREUNWOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-phenylbutanamide
• IUPAC Traditional name: N-{[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-phenylbutanamide
• Synonyms: N-({2-[2-(acetylamino)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-4-phenylbutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.868966
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.12674
• LogD (pH = 7.4): 3.126742
• Log P: 3.1267433
• Molar Refractivity: 123.2006 cm^3
• Polarizability: 43.236908 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: 1.58
• LOG S: -5.56
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 8