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

• ChemBase ID: 507647
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)NCCCc1ccccc1
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)NCCCc1ccccc1
• InChI: InChI=1S/C23H27N3O3/c1-28-20-12-6-5-11-19(20)13-15-22-25-26-23(29-22)16-14-21(27)24-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12H,7,10,13-17H2,1H3,(H,24,27)
• InChIKey: AMCRILGJRUPFHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.1575365
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0213513
• LogD (pH = 7.4): 3.0213513
• Log P: 3.0213513
• Molar Refractivity: 113.2319 cm^3
• Polarizability: 42.926556 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.7
• LOG S: -5.89
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10