8-methyl-2-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane

• ChemBase编号: 129316
• 分子式: C19H24N2O
• 平均质量: 296.40666
• 单一同位素质量: 296.1888634
• SMILES: CN1C2CCC1CC(c1ccc(cc1)C)C2c1cc(C)no1
• Canonical SMILES: Cc1ccc(cc1)C1CC2CCC(C1c1onc(c1)C)N2C
• InChI: InChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3
• InChIKey: JWOFBAPJYPWTNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methyl-2-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
• IUPAC传统名: 8-methyl-2-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
• 别名: RTI-171

登记号

• PubChem SID: 162223610
• PubChem CID: 10334746; 10565888
• 维基百科标题: RTI-171

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.041192286
• LogD (pH = 7.4): 1.3545841
• Log P: 3.3004544
• 摩尔折射率: 89.2291 cm^3
• 极化性: 34.08046 Å^3
• 极化表面积: 29.27 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true