N-[4-(3-methoxyphenyl)phenyl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide

• ChemBase ID: 502206
• Molecular Formular: C24H25N3O4
• Molecular Mass: 419.473
• Monoisotopic Mass: 419.1845063
• SMILES: c1(C(=O)N2CC(C(=O)Nc3ccc(c4cc(OC)ccc4)cc3)CCC2)ncoc1C
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1ncoc1C
• InChI: InChI=1S/C24H25N3O4/c1-16-22(25-15-31-16)24(29)27-12-4-6-19(14-27)23(28)26-20-10-8-17(9-11-20)18-5-3-7-21(13-18)30-2/h3,5,7-11,13,15,19H,4,6,12,14H2,1-2H3,(H,26,28)
• InChIKey: SUPHZNNUHCVPMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-methoxyphenyl)phenyl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[4-(3-methoxyphenyl)phenyl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide
• Synonyms: N-(3'-methoxy-4-biphenylyl)-1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.9221115
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9514153
• LogD (pH = 7.4): 2.9514153
• Log P: 2.9514153
• Molar Refractivity: 118.5215 cm^3
• Polarizability: 45.483776 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.82
• LOG S: -5.16
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 4