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

• ChemBase ID: 435368
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)NC1CCCCCC1
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)NC1CCCCCC1
• InChI: InChI=1S/C21H29N3O3/c1-26-18-11-7-6-8-16(18)12-14-20-23-24-21(27-20)15-13-19(25)22-17-9-4-2-3-5-10-17/h6-8,11,17H,2-5,9-10,12-15H2,1H3,(H,22,25)
• InChIKey: JJGJLCUZAOPKCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.018473
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8074875
• LogD (pH = 7.4): 2.8074875
• Log P: 2.8074877
• Molar Refractivity: 104.8785 cm^3
• Polarizability: 39.97982 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: 1.82
• LOG S: -5.25
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 7