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

• ChemBase ID: 466530
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: n1c(noc1C1CCC1)CN(C(=O)c1cc(Cn2nccc2)ccc1)CC
• Canonical SMILES: CCN(C(=O)c1cccc(c1)Cn1cccn1)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C20H23N5O2/c1-2-24(14-18-22-19(27-23-18)16-7-4-8-16)20(26)17-9-3-6-15(12-17)13-25-11-5-10-21-25/h3,5-6,9-12,16H,2,4,7-8,13-14H2,1H3
• InChIKey: JSVCXGZAYQHWGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0003746
• LogD (pH = 7.4): 3.0004961
• Log P: 3.0004978
• Molar Refractivity: 114.3747 cm^3
• Polarizability: 38.127052 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.15
• LOG S: -2.85
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7