4-cyclobutaneamido-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

• ChemBase ID: 369463
• Molecular Formular: C16H18N4O3
• Molecular Mass: 314.33912
• Monoisotopic Mass: 314.13789046
• SMILES: n1nc(oc1CNC(=O)c1ccc(NC(=O)C2CCC2)cc1)C
• Canonical SMILES: O=C(c1ccc(cc1)NC(=O)C1CCC1)NCc1nnc(o1)C
• InChI: InChI=1S/C16H18N4O3/c1-10-19-20-14(23-10)9-17-15(21)12-5-7-13(8-6-12)18-16(22)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,17,21)(H,18,22)
• InChIKey: ZOLSDHXCHWVKEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutaneamido-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• IUPAC Traditional name: 4-cyclobutaneamido-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• Synonyms: 4-[(cyclobutylcarbonyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.4204
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.4117813
• LogD (pH = 7.4): 0.41178107
• Log P: 0.41178146
• Molar Refractivity: 86.2022 cm^3
• Polarizability: 31.210531 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.37
• LOG S: -2.48
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 5