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

• ChemBase ID: 693259
• Molecular Formular: C16H21N3O3
• Molecular Mass: 303.35624
• Monoisotopic Mass: 303.15829155
• SMILES: c1(nc(on1)CC)N1CCC(CC1)Oc1ccc(cc1)OC
• Canonical SMILES: CCc1onc(n1)N1CCC(CC1)Oc1ccc(cc1)OC
• InChI: InChI=1S/C16H21N3O3/c1-3-15-17-16(18-22-15)19-10-8-14(9-11-19)21-13-6-4-12(20-2)5-7-13/h4-7,14H,3,8-11H2,1-2H3
• InChIKey: RJPZUUBADUMRCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7562406
• LogD (pH = 7.4): 2.756242
• Log P: 2.756242
• Molar Refractivity: 84.5637 cm^3
• Polarizability: 31.468903 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: 5
• H Donor: 0
• Log P: 2.01
• LOG S: -3.13
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 5