N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 710983
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: n1c(noc1C1CCC1)CN(C(=O)c1ccc(n2nccc2)cc1)CC
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)n1cccn1)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C19H21N5O2/c1-2-23(13-17-21-18(26-22-17)14-5-3-6-14)19(25)15-7-9-16(10-8-15)24-12-4-11-20-24/h4,7-12,14H,2-3,5-6,13H2,1H3
• InChIKey: AZBOILAINDGWPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(1H-pyrazol-1-yl)benzamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(pyrazol-1-yl)benzamide
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(1H-pyrazol-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9261756
• LogD (pH = 7.4): 2.926232
• Log P: 2.9262328
• Molar Refractivity: 99.2204 cm^3
• Polarizability: 37.03168 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: 6
• H Donor: 0
• Log P: 2.48
• LOG S: -4.41
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 5