1-(1-benzofuran-2-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine

• ChemBase ID: 792082
• Molecular Formular: C18H20N2O2
• Molecular Mass: 296.3636
• Monoisotopic Mass: 296.15247789
• SMILES: c1(noc(c1)C)C1N(Cc2oc3c(c2)cccc3)CCCC1
• Canonical SMILES: Cc1onc(c1)C1CCCCN1Cc1cc2c(o1)cccc2
• InChI: InChI=1S/C18H20N2O2/c1-13-10-16(19-22-13)17-7-4-5-9-20(17)12-15-11-14-6-2-3-8-18(14)21-15/h2-3,6,8,10-11,17H,4-5,7,9,12H2,1H3
• InChIKey: UXZKIBBIRQUDBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-2-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine
• IUPAC Traditional name: 1-(1-benzofuran-2-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine
• Synonyms: 1-(1-benzofuran-2-ylmethyl)-2-(5-methylisoxazol-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5342002
• LogD (pH = 7.4): 3.1266735
• Log P: 3.4261413
• Molar Refractivity: 85.8887 cm^3
• Polarizability: 33.894863 Å^3
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.96
• LOG S: -2.88
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 3