2-chloro-N-{2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]ethyl}benzamide

• ChemBase ID: 593527
• Molecular Formular: C15H17ClN4O2
• Molecular Mass: 320.77408
• Monoisotopic Mass: 320.10400348
• SMILES: o1c(nnc1NCCNC(=O)c1c(Cl)cccc1)C1CCC1
• Canonical SMILES: O=C(c1ccccc1Cl)NCCNc1nnc(o1)C1CCC1
• InChI: InChI=1S/C15H17ClN4O2/c16-12-7-2-1-6-11(12)13(21)17-8-9-18-15-20-19-14(22-15)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,17,21)(H,18,20)
• InChIKey: OXFSFJRHVNSBPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]ethyl}benzamide
• IUPAC Traditional name: 2-chloro-N-{2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]ethyl}benzamide
• Synonyms: 2-chloro-N-{2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.41943
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9392221
• LogD (pH = 7.4): 1.9391857
• Log P: 1.9392252
• Molar Refractivity: 85.9605 cm^3
• Polarizability: 31.213627 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.65
• LOG S: -3.69
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 6