N-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]methyl}-4-phenylbenzamide

• ChemBase ID: 413732
• Molecular Formular: C24H25N3O3
• Molecular Mass: 403.4736
• Monoisotopic Mass: 403.18959168
• SMILES: c1(C(=O)N2CC(CNC(=O)c3ccc(cc3)c3ccccc3)CCC2)c(nco1)C
• Canonical SMILES: O=C(c1ccc(cc1)c1ccccc1)NCC1CCCN(C1)C(=O)c1ocnc1C
• InChI: InChI=1S/C24H25N3O3/c1-17-22(30-16-26-17)24(29)27-13-5-6-18(15-27)14-25-23(28)21-11-9-20(10-12-21)19-7-3-2-4-8-19/h2-4,7-12,16,18H,5-6,13-15H2,1H3,(H,25,28)
• InChIKey: AZNLTJGDYMESHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]methyl}-4-phenylbenzamide
• IUPAC Traditional name: N-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]methyl}-4-phenylbenzamide
• Synonyms: N-({1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}methyl)-4-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.915753
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.298082
• LogD (pH = 7.4): 2.2980826
• Log P: 2.2980826
• Molar Refractivity: 115.4597 cm^3
• Polarizability: 44.60174 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.19
• LOG S: -5.98
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5