(dicyclopropylmethyl)(methyl)({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)amine

• ChemBase编号: 751470
• 分子式: C20H23F3N2O
• 平均质量: 364.4046296
• 单一同位素质量: 364.17624803
• SMILES: n1c(c(oc1c1ccc(C(F)(F)F)cc1)C)CN(C(C1CC1)C1CC1)C
• Canonical SMILES: CN(C(C1CC1)C1CC1)Cc1nc(oc1C)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C20H23F3N2O/c1-12-17(11-25(2)18(13-3-4-13)14-5-6-14)24-19(26-12)15-7-9-16(10-8-15)20(21,22)23/h7-10,13-14,18H,3-6,11H2,1-2H3
• InChIKey: WPZUIUXWXREDEY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (dicyclopropylmethyl)(methyl)({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)amine
• IUPAC传统名: (dicyclopropylmethyl)(methyl)({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)amine
• 别名: (dicyclopropylmethyl)methyl({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5110656
• LogD (pH = 7.4): 3.1464503
• Log P: 4.6611075
• 摩尔折射率: 104.5671 cm^3
• 极化性: 35.95955 Å^3
• 极化表面积: 29.27 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: 3
• 质子供体: 0
• Log P: 4.61
• LOG S: -4.4
• 极化表面积: 29.27 Å^2
• 可自由旋转的化学键: 6