1-(2-methoxyethyl)-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 780824
• Molecular Formular: C14H23N3O3
• Molecular Mass: 281.35072
• Monoisotopic Mass: 281.17394161
• SMILES: n1c(noc1C1CCN(CC1)CCOC)C1COCC1
• Canonical SMILES: COCCN1CCC(CC1)c1onc(n1)C1COCC1
• InChI: InChI=1S/C14H23N3O3/c1-18-9-7-17-5-2-11(3-6-17)14-15-13(16-20-14)12-4-8-19-10-12/h11-12H,2-10H2,1H3
• InChIKey: HOUPGLRPCQUFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 1-(2-methoxyethyl)-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine
• Synonyms: 1-(2-methoxyethyl)-4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.6378982
• LogD (pH = 7.4): 0.13839124
• Log P: 0.8487116
• Molar Refractivity: 76.5047 cm^3
• Polarizability: 28.88037 Å^3
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.12
• LOG S: -0.14
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 5