HCID57110370

3-(3-Fluoro-4-piperazin-1-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C17H19FN4O4362.4 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=C1OC(COc2ccon2)CN1c1ccc(N2CCNCC2)c(F)c1
InChIKey: KZXIBRLRTUPSCT-UHFFFAOYSA-N
分子式: C17H19FN4O4
平均分子量: 362.4 g/mol
单同位素质量: 362.13903326

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 80.1 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 5
重原子: 26
形式电荷: 0
复杂度: 493

ALIASES

名称与别名

共 1 条

SCHEMBL4905105

REACTIONS

参与反应

8 条

HRID 111194 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 667017 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

HRID 807078 反应方程式

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

HRID 945873 反应方程式

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

HRID 1120951 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 1132236 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 2310094 反应方程式

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

HRID 2321372 反应方程式

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