HCID42628856

5-Phenyl-oxazole-4-carboxylic acid [2-(4-acetyl-oxazol-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide

N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

C18H14N6O4378.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIKey: IDKULFCSGKWMQX-UHFFFAOYSA-N
分子式: C18H14N6O4
平均分子量: 378.3 g/mol
单同位素质量: 378.10765295

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 129 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 6
重原子: 28
形式电荷: 0
复杂度: 572

ALIASES

名称与别名

共 4 条

SCHEMBL2327710CHEMBL5561111IDKULFCSGKWMQX-UHFFFAOYSA-N5-Phenyl-oxazole-4-carboxylic acid [2-(4-acetyl-oxazol-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide

REACTIONS

参与反应

2 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536209B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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