HCID11128267

2-(2,3-Dimethoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole

2-(2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

C13H17NO3235.28 g/molCAS 57598-32-0

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IDENTITY

结构与身份

标准SMILES: COc1cccc(C2=NC(C)(C)CO2)c1OC
InChIKey: GTXIBCRXNKXKCF-UHFFFAOYSA-N
分子式: C13H17NO3
平均分子量: 235.28 g/mol
单同位素质量: 235.1208434

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 40.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 301

ALIASES

名称与别名

共 14 条

57598-32-02-(2,3-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazoleDTXSID40456249RefChem:250069DTXCID304070682-(2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole2-(2,3-Dimethoxyphenyl)-4,5-dihydro-4,4-dimethyloxazole2-(2,3-DIMETHOXYPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE2-(2,3-dimethoxyphenyl)-4,4-dimethyl-2-oxazolineSCHEMBL6299778GTXIBCRXNKXKCF-UHFFFAOYSA-NMFCD01549554DB-072346H80350

REACTIONS

参与反应

3 条

uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06943183B2

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uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06335459B1

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

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