N-cyclooctyl-3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 354686
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NC1CCCCCCC1
• Canonical SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)NC1CCCCCCC1
• InChI: InChI=1S/C22H31N3O3/c1-27-19-12-9-17(10-13-19)11-15-21-24-25-22(28-21)16-14-20(26)23-18-7-5-3-2-4-6-8-18/h9-10,12-13,18H,2-8,11,14-16H2,1H3,(H,23,26)
• InChIKey: BQDLFZPZFMTFIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.177218
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2520561
• LogD (pH = 7.4): 3.2520564
• Log P: 3.2520564
• Molar Refractivity: 109.4795 cm^3
• Polarizability: 41.816772 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.38
• LOG S: -5.47
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 7