1-{[3-(furan-2-yl)phenyl]methyl}-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 469246
• Molecular Formular: C21H25N3O3
• Molecular Mass: 367.4415
• Monoisotopic Mass: 367.18959168
• SMILES: n1c(onc1CCOC)C1CN(Cc2cc(c3occc3)ccc2)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)Cc1cccc(c1)c1ccco1
• InChI: InChI=1S/C21H25N3O3/c1-25-12-9-20-22-21(27-23-20)18-7-3-10-24(15-18)14-16-5-2-6-17(13-16)19-8-4-11-26-19/h2,4-6,8,11,13,18H,3,7,9-10,12,14-15H2,1H3
• InChIKey: VBRAAZLFIOIRGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(furan-2-yl)phenyl]methyl}-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 1-{[3-(furan-2-yl)phenyl]methyl}-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
• Synonyms: 1-[3-(2-furyl)benzyl]-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4178613
• LogD (pH = 7.4): 2.1649268
• Log P: 3.4833665
• Molar Refractivity: 104.604 cm^3
• Polarizability: 40.74465 Å^3
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.98
• LOG S: -3.42
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 7