5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one

• ChemBase ID: 323814
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: n1c(C2CN(C(=O)CC2)CCc2ccccc2)onc1CCOC
• Canonical SMILES: COCCc1noc(n1)C1CCC(=O)N(C1)CCc1ccccc1
• InChI: InChI=1S/C18H23N3O3/c1-23-12-10-16-19-18(24-20-16)15-7-8-17(22)21(13-15)11-9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
• InChIKey: GBHMFWFGVFEOQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1641693
• LogD (pH = 7.4): 2.1641695
• Log P: 2.1641695
• Molar Refractivity: 91.4574 cm^3
• Polarizability: 34.558163 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.59
• LOG S: -2.96
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7