N-cyclooctyl-2-({2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}amino)acetamide

• ChemBase ID: 422834
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c1(nc(on1)CCNCC(=O)NC1CCCCCCC1)c1ncccc1
• Canonical SMILES: O=C(NC1CCCCCCC1)CNCCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C19H27N5O2/c25-17(22-15-8-4-2-1-3-5-9-15)14-20-13-11-18-23-19(24-26-18)16-10-6-7-12-21-16/h6-7,10,12,15,20H,1-5,8-9,11,13-14H2,(H,22,25)
• InChIKey: NEPTYJHMQCCMHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.133756
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.29343477
• LogD (pH = 7.4): 2.0374794
• Log P: 2.6883469
• Molar Refractivity: 109.8504 cm^3
• Polarizability: 38.858795 Å^3
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.01
• LOG S: -3.52
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 7