N-methyl-5-propyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3,4-oxadiazole-2-carboxamide

• ChemBase ID: 534228
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: c1(nnc(o1)CCC)C(=O)N(Cc1ccc(n2nccc2)cc1)C
• Canonical SMILES: CCCc1nnc(o1)C(=O)N(Cc1ccc(cc1)n1cccn1)C
• InChI: InChI=1S/C17H19N5O2/c1-3-5-15-19-20-16(24-15)17(23)21(2)12-13-6-8-14(9-7-13)22-11-4-10-18-22/h4,6-11H,3,5,12H2,1-2H3
• InChIKey: DGBGJTAAMAEUOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-propyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3,4-oxadiazole-2-carboxamide
• IUPAC Traditional name: N-methyl-5-propyl-N-{[4-(pyrazol-1-yl)phenyl]methyl}-1,3,4-oxadiazole-2-carboxamide
• Synonyms: N-methyl-5-propyl-N-[4-(1H-pyrazol-1-yl)benzyl]-1,3,4-oxadiazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7086265
• LogD (pH = 7.4): 1.708683
• Log P: 1.7086837
• Molar Refractivity: 91.9755 cm^3
• Polarizability: 34.092506 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.91
• LOG S: -3.2
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6