ethyl({[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl})(2-methylprop-2-en-1-yl)amine

• ChemBase编号: 765076
• 分子式: C15H20N2O2
• 平均质量: 260.3315
• 单一同位素质量: 260.15247789
• SMILES: c1(nc(c(o1)C)CN(CC(=C)C)CC)c1cocc1
• Canonical SMILES: CCN(Cc1nc(oc1C)c1cocc1)CC(=C)C
• InChI: InChI=1S/C15H20N2O2/c1-5-17(8-11(2)3)9-14-12(4)19-15(16-14)13-6-7-18-10-13/h6-7,10H,2,5,8-9H2,1,3-4H3
• InChIKey: CCASROSPKYZELP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl({[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl})(2-methylprop-2-en-1-yl)amine
• IUPAC传统名: ethyl({[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl})(2-methylprop-2-en-1-yl)amine
• 别名: N-ethyl-N-{[2-(3-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-methyl-2-propen-1-amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.46849433
• LogD (pH = 7.4): 2.1690483
• Log P: 2.634002
• 摩尔折射率: 85.7459 cm^3
• 极化性: 29.39599 Å^3
• 极化表面积: 42.41 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.85
• LOG S: -1.72
• 极化表面积: 42.41 Å^2
• 可自由旋转的化学键: 5