1-[2-(4-methoxyphenyl)ethyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

• ChemBase ID: 695570
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: n1c(noc1C1CN(C(=O)CC1)CCc1ccc(cc1)OC)c1c(C)cccc1
• Canonical SMILES: COc1ccc(cc1)CCN1CC(CCC1=O)c1onc(n1)c1ccccc1C
• InChI: InChI=1S/C23H25N3O3/c1-16-5-3-4-6-20(16)22-24-23(29-25-22)18-9-12-21(27)26(15-18)14-13-17-7-10-19(28-2)11-8-17/h3-8,10-11,18H,9,12-15H2,1-2H3
• InChIKey: ZVTLYUADBZCHOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenyl)ethyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
• IUPAC Traditional name: 1-[2-(4-methoxyphenyl)ethyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
• Synonyms: 1-[2-(4-methoxyphenyl)ethyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3500214
• LogD (pH = 7.4): 4.3500214
• Log P: 4.3500214
• Molar Refractivity: 122.5957 cm^3
• Polarizability: 42.957714 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.46
• LOG S: -5.86
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6