1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxyphenoxymethyl)piperidine

• ChemBase ID: 850644
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: c1(nc(on1)CC)N1CC(COc2cc(OC)ccc2)CCC1
• Canonical SMILES: CCc1onc(n1)N1CCCC(C1)COc1cccc(c1)OC
• InChI: InChI=1S/C17H23N3O3/c1-3-16-18-17(19-23-16)20-9-5-6-13(11-20)12-22-15-8-4-7-14(10-15)21-2/h4,7-8,10,13H,3,5-6,9,11-12H2,1-2H3
• InChIKey: FLEMTGOVCQAWNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxyphenoxymethyl)piperidine
• Synonyms: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-[(3-methoxyphenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.258398
• LogD (pH = 7.4): 3.2583995
• Log P: 3.2583995
• Molar Refractivity: 89.2829 cm^3
• Polarizability: 33.30496 Å^3
• Polar Surface Area: 60.62 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: 2.18
• LOG S: -3.38
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 6