N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carboxamide

• ChemBase ID: 841757
• Molecular Formular: C24H23N5O3
• Molecular Mass: 429.47112
• Monoisotopic Mass: 429.18008962
• SMILES: c1(C(=O)N2CCC(C(=O)Nc3ccc(c4nc5c([nH]4)cccc5)cc3)CC2)c(nco1)C
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)c1ocnc1C)Nc1ccc(cc1)c1nc2c([nH]1)cccc2
• InChI: InChI=1S/C24H23N5O3/c1-15-21(32-14-25-15)24(31)29-12-10-17(11-13-29)23(30)26-18-8-6-16(7-9-18)22-27-19-4-2-3-5-20(19)28-22/h2-9,14,17H,10-13H2,1H3,(H,26,30)(H,27,28)
• InChIKey: JWALNXBCAWDVCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
• Synonyms: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.520004
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9252294
• LogD (pH = 7.4): 2.0804853
• Log P: 2.082942
• Molar Refractivity: 130.7795 cm^3
• Polarizability: 46.60092 Å^3
• Polar Surface Area: 104.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.67
• LOG S: -6.23
• Polar Surface Area: 104.12 Å^2
• Rotatable Bonds: 4