2-(dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)acetamide

• ChemBase编号: 494177
• 分子式: C19H26N2O4
• 平均质量: 346.42074
• 单一同位素质量: 346.18925732
• SMILES: c1(CC(=O)N(Cc2ccc(cc2)OCC)CCOC)c(onc1C)C
• Canonical SMILES: COCCN(C(=O)Cc1c(C)noc1C)Cc1ccc(cc1)OCC
• InChI: InChI=1S/C19H26N2O4/c1-5-24-17-8-6-16(7-9-17)13-21(10-11-23-4)19(22)12-18-14(2)20-25-15(18)3/h6-9H,5,10-13H2,1-4H3
• InChIKey: SWUGGRNUCKSYOZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)acetamide
• IUPAC传统名: 2-(dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)acetamide
• 别名: 2-(3,5-dimethylisoxazol-4-yl)-N-(4-ethoxybenzyl)-N-(2-methoxyethyl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8234674
• LogD (pH = 7.4): 1.8235142
• Log P: 1.8235148
• 摩尔折射率: 97.0323 cm^3
• 极化性: 36.75048 Å^3
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.86
• LOG S: -3.31
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 9