1-{[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1,3-thiazol-2-yl)piperidine

• ChemBase ID: 519236
• Molecular Formular: C17H19N3O2S
• Molecular Mass: 329.41666
• Monoisotopic Mass: 329.11979786
• SMILES: c1(nc(c(o1)C)CN1C(c2nccs2)CCCC1)c1cocc1
• Canonical SMILES: Cc1oc(nc1CN1CCCCC1c1nccs1)c1cocc1
• InChI: InChI=1S/C17H19N3O2S/c1-12-14(19-16(22-12)13-5-8-21-11-13)10-20-7-3-2-4-15(20)17-18-6-9-23-17/h5-6,8-9,11,15H,2-4,7,10H2,1H3
• InChIKey: GOGPGBUBUDMXQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9898691
• LogD (pH = 7.4): 2.7907596
• Log P: 2.8213377
• Molar Refractivity: 98.5879 cm^3
• Polarizability: 34.449905 Å^3
• Polar Surface Area: 55.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.67
• LOG S: -2.51
• Polar Surface Area: 55.3 Å^2
• Rotatable Bonds: 4