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

• ChemBase ID: 323002
• Molecular Formular: C27H24FN3O3
• Molecular Mass: 457.4961632
• Monoisotopic Mass: 457.18016986
• SMILES: n1c(oc(c1CNC(=O)Cc1c(F)cccc1)C)c1ccc(NC(=O)Cc2ccccc2)cc1
• Canonical SMILES: O=C(Cc1ccccc1)Nc1ccc(cc1)c1nc(c(o1)C)CNC(=O)Cc1ccccc1F
• InChI: InChI=1S/C27H24FN3O3/c1-18-24(17-29-25(32)16-21-9-5-6-10-23(21)28)31-27(34-18)20-11-13-22(14-12-20)30-26(33)15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,29,32)(H,30,33)
• InChIKey: UKBVKWINUCTNLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.710256
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.2146425
• LogD (pH = 7.4): 4.214646
• Log P: 4.214648
• Molar Refractivity: 138.9369 cm^3
• Polarizability: 48.793125 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: 3.58
• LOG S: -7.26
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 8