N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 738210
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: n1(nc(cc1C)C)c1ccc(NC(=O)N2CCC(c3nc(on3)C)CC2)cc1
• Canonical SMILES: Cc1onc(n1)C1CCN(CC1)C(=O)Nc1ccc(cc1)n1nc(cc1C)C
• InChI: InChI=1S/C20H24N6O2/c1-13-12-14(2)26(23-13)18-6-4-17(5-7-18)22-20(27)25-10-8-16(9-11-25)19-21-15(3)28-24-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,27)
• InChIKey: FCDYIXXMAYXZCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.630018
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.612721
• LogD (pH = 7.4): 2.6140184
• Log P: 2.6140351
• Molar Refractivity: 108.9714 cm^3
• Polarizability: 40.060028 Å^3
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.77
• LOG S: -3.48
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 3