N-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propanamide

• ChemBase ID: 691672
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: o1c(nnc1NCCC(=O)NC1CCCCC1)C1CC1
• Canonical SMILES: O=C(NC1CCCCC1)CCNc1nnc(o1)C1CC1
• InChI: InChI=1S/C14H22N4O2/c19-12(16-11-4-2-1-3-5-11)8-9-15-14-18-17-13(20-14)10-6-7-10/h10-11H,1-9H2,(H,15,18)(H,16,19)
• InChIKey: VOPKCSVTESOCSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propanamide
• IUPAC Traditional name: N-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propanamide
• Synonyms: N~1~-cyclohexyl-N~3~-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-beta-alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.690506
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9455718
• LogD (pH = 7.4): 0.9455535
• Log P: 0.94557464
• Molar Refractivity: 77.0077 cm^3
• Polarizability: 28.399752 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: 0.67
• LOG S: -2.73
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 6