N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase编号: 578257
• 分子式: C19H21N5O3
• 平均质量: 367.40174
• 单一同位素质量: 367.16443956
• SMILES: n1c(noc1C1CCC1)CN(C(=O)CCc1nc(no1)c1ccccc1)C
• Canonical SMILES: O=C(N(Cc1noc(n1)C1CCC1)C)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H21N5O3/c1-24(12-15-20-19(27-22-15)14-8-5-9-14)17(25)11-10-16-21-18(23-26-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
• InChIKey: GXRPFYVMORODAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC传统名: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• 别名: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

理论计算性质

JChem

• 摩尔折射率: 110.2151 cm^3
• 极化性: 37.43289 Å^3
• 极化表面积: 98.15 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.1965227
• LogD (pH = 7.4): 3.1965227
• Log P: 3.1965227

Provided by Chembridge

• 极化表面积: 98.15 Å^2
• 可自由旋转的化学键: 7
• 质子受体: 7
• 质子供体: 0
• Log P: 2.25
• LOG S: -3.8