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

• ChemBase ID: 385505
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: n1c(onc1CCOC)C1CN(Cc2oc3c(c2)cccc3)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)Cc1cc2c(o1)cccc2
• InChI: InChI=1S/C19H23N3O3/c1-23-10-8-18-20-19(25-21-18)15-6-4-9-22(12-15)13-16-11-14-5-2-3-7-17(14)24-16/h2-3,5,7,11,15H,4,6,8-10,12-13H2,1H3
• InChIKey: FUVFCTRLNRVATE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.18032724
• LogD (pH = 7.4): 1.5552406
• Log P: 2.9217095
• Molar Refractivity: 95.7955 cm^3
• Polarizability: 37.30713 Å^3
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.36
• LOG S: -2.7
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 6