(2-methoxyethyl)({[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl})(propan-2-yl)amine

• ChemBase编号: 590931
• 分子式: C21H26N2O2
• 平均质量: 338.44334
• 单一同位素质量: 338.19942808
• SMILES: c1(nc(c(o1)C)CN(C(C)C)CCOC)c1c2c(ccc1)cccc2
• Canonical SMILES: COCCN(C(C)C)Cc1nc(oc1C)c1cccc2c1cccc2
• InChI: InChI=1S/C21H26N2O2/c1-15(2)23(12-13-24-4)14-20-16(3)25-21(22-20)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,15H,12-14H2,1-4H3
• InChIKey: QGFNONGYSZEYGX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methoxyethyl)({[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl})(propan-2-yl)amine
• IUPAC传统名: isopropyl(2-methoxyethyl){[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}amine
• 别名: N-(2-methoxyethyl)-N-{[5-methyl-2-(1-naphthyl)-1,3-oxazol-4-yl]methyl}-2-propanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6134645
• LogD (pH = 7.4): 3.341327
• Log P: 3.8782218
• 摩尔折射率: 111.7003 cm^3
• 极化性: 41.032913 Å^3
• 极化表面积: 38.5 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.09
• LOG S: -2.64
• 极化表面积: 38.5 Å^2
• 可自由旋转的化学键: 5