{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(4-ethylphenyl)methyl]methylamine

• ChemBase编号: 729185
• 分子式: C23H28N2O2
• 平均质量: 364.48062
• 单一同位素质量: 364.21507815
• SMILES: c1(nc(c(o1)C)CN(Cc1ccc(cc1)CC)C)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN(Cc1ccc(cc1)CC)C
• InChI: InChI=1S/C23H28N2O2/c1-5-18-11-13-19(14-12-18)15-25(4)16-21-17(3)27-23(24-21)20-9-7-8-10-22(20)26-6-2/h7-14H,5-6,15-16H2,1-4H3
• InChIKey: ZANDZSFALHUWCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(4-ethylphenyl)methyl]methylamine
• IUPAC传统名: {[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(4-ethylphenyl)methyl]methylamine
• 别名: 1-[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-ethylbenzyl)-N-methylmethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.1254423
• LogD (pH = 7.4): 4.7305155
• Log P: 5.043937
• 摩尔折射率: 120.5058 cm^3
• 极化性: 42.99195 Å^3
• 极化表面积: 38.5 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.76
• LOG S: -4.64
• 极化表面积: 38.5 Å^2
• 可自由旋转的化学键: 5