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

• ChemBase ID: 357704
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)N(C(C)C)C
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)N(C(C)C)C
• InChI: InChI=1S/C18H25N3O3/c1-13(2)21(3)18(22)12-11-17-20-19-16(24-17)10-9-14-7-5-6-8-15(14)23-4/h5-8,13H,9-12H2,1-4H3
• InChIKey: HQKVMTCMVXOPBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5607073
• LogD (pH = 7.4): 1.5607074
• Log P: 1.5607074
• Molar Refractivity: 93.3274 cm^3
• Polarizability: 35.189873 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.34
• LOG S: -3.39
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6