HCID16722643

N-{3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenyl}-methanesulfonamide

N-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide

C20H18N4O5S426.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(NS(C)(=O)=O)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIKey: GLMNSBOYTMQJRN-UHFFFAOYSA-N
分子式: C20H18N4O5S
平均分子量: 426.4 g/mol
单同位素质量: 426.09979086

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 129 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 6
重原子: 30
形式电荷: 0
复杂度: 669

ALIASES

名称与别名

共 4 条

SCHEMBL1930420GLMNSBOYTMQJRN-UHFFFAOYSA-NN-{3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenyl}-methanesulfonamideN-{3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenyl}-methanesulfonyl-amine

REACTIONS

参与反应

3 条

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07541372B2

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uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07956074B2

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