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

• ChemBase ID: 747232
• Molecular Formular: C17H27N3O3
• Molecular Mass: 321.41458
• Monoisotopic Mass: 321.20524174
• SMILES: n1c(C2CN(C(=O)CC2)C2CCCCCC2)onc1CCOC
• Canonical SMILES: COCCc1noc(n1)C1CCC(=O)N(C1)C1CCCCCC1
• InChI: InChI=1S/C17H27N3O3/c1-22-11-10-15-18-17(23-19-15)13-8-9-16(21)20(12-13)14-6-4-2-3-5-7-14/h13-14H,2-12H2,1H3
• InChIKey: LJMSVEYVQOKGQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2807693
• LogD (pH = 7.4): 2.2807696
• Log P: 2.2807696
• Molar Refractivity: 87.705 cm^3
• Polarizability: 33.464935 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.02
• LOG S: -3.27
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5