HCID367073

4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone

4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one

C11H8FNO2205.18 g/molCAS 586-08-3

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IDENTITY

结构与身份

标准SMILES: CC1=NC(=Cc2ccc(F)cc2)C(=O)O1
InChIKey: CJDRPIOMZCOCEB-UHFFFAOYSA-N
分子式: C11H8FNO2
平均分子量: 205.18 g/mol
单同位素质量: 205.05390666

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 38.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 15
形式电荷: 0
复杂度: 327

ALIASES

名称与别名

共 14 条

586-08-34-[(4-FLUOROPHENYL)METHYLENE]-2-METHYL-5(4H)-OXAZOLONE4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazoloneRefChem:2864014-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one2-methyl-4-(4-fluorobenzylidene)-oxazol-5-one2-methyl-4-(p-fluorobenzylidene)oxazol-5-oneSCHEMBL8402324DTXSID80327161CJDRPIOMZCOCEB-UHFFFAOYSA-NAKOS034450794DB-262810H599174-[(4-Fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5(4H)-one

REACTIONS

参与反应

3 条

uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06004992

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uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06004992

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

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