结构:CC1(C)C=NC(=O)O1
HCID21464782

5,5-Dimethyloxazolin-2-one

5,5-dimethyl-1,3-oxazol-2-one

C5H7NO2113.11 g/mol

IDENTITY

结构与身份

标准 SMILES
CC1(C)C=NC(=O)O1
InChIKey
GPCRKGMEGRXFCV-UHFFFAOYSA-N
分子式
C5H7NO2
平均分子量
113.11 g/mol
单同位素质量
113.04767847

COMPUTED

结构计算性质

已同步
XLogP
0.4
极性表面积
38.7 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
8
形式电荷
0
复杂度
149

ALIASES

名称与别名

3
5,5-dimethyloxazolin-2-oneSCHEMBL2365811GPCRKGMEGRXFCV-UHFFFAOYSA-N

REACTIONS

参与反应

22
HRID101465

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

作为反应物
HRID 101465 方程式

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

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HRID108246

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

作为反应物
HRID 108246 方程式

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

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HRID120938

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

作为反应物
HRID 120938 方程式

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

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HRID210891

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 210891 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID303482

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 303482 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID313820

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 313820 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID939385

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

作为反应物
HRID 939385 方程式

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

查看条件与参与物