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

• ChemBase编号: 572757
• 分子式: C22H28N2O3
• 平均质量: 368.46932
• 单一同位素质量: 368.20999277
• SMILES: c1(nc(c(o1)C)CN(C(C)C)CCOC)c1c2c(c(cc1)OC)cccc2
• Canonical SMILES: COCCN(C(C)C)Cc1nc(oc1C)c1ccc(c2c1cccc2)OC
• InChI: InChI=1S/C22H28N2O3/c1-15(2)24(12-13-25-4)14-20-16(3)27-22(23-20)19-10-11-21(26-5)18-9-7-6-8-17(18)19/h6-11,15H,12-14H2,1-5H3
• InChIKey: YGHZVEJIPVJRBB-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.452609
• LogD (pH = 7.4): 3.1812437
• Log P: 3.7205503
• 摩尔折射率: 118.1635 cm^3
• 极化性: 43.51766 Å^3
• 极化表面积: 47.73 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 4.11
• LOG S: -2.57
• 极化表面积: 47.73 Å^2
• 可自由旋转的化学键: 5