2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]piperidine

• ChemBase ID: 400650
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(nc(no1)CCOC)C1N(Cc2nnn(c2)c2ccccc2)CCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1Cc1nnn(c1)c1ccccc1
• InChI: InChI=1S/C19H24N6O2/c1-26-12-10-18-20-19(27-22-18)17-9-5-6-11-24(17)13-15-14-25(23-21-15)16-7-3-2-4-8-16/h2-4,7-8,14,17H,5-6,9-13H2,1H3
• InChIKey: WVIUYSLRMWVSJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]piperidine
• IUPAC Traditional name: 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenyl-1,2,3-triazol-4-yl)methyl]piperidine
• Synonyms: 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4904308
• LogD (pH = 7.4): 2.707527
• Log P: 2.7111335
• Molar Refractivity: 103.0174 cm^3
• Polarizability: 39.2176 Å^3
• Polar Surface Area: 82.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.57
• LOG S: -2.22
• Polar Surface Area: 82.1 Å^2
• Rotatable Bonds: 7