HCID722466

2-(4,5-Diphenyl-1,3-oxazol-2-ylthio)acetic acid

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetic acid

C17H13NO3S311.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIKey: STVVIBPFTMJJIZ-UHFFFAOYSA-N
分子式: C17H13NO3S
平均分子量: 311.4 g/mol
单同位素质量: 311.06161445

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 88.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 367

ALIASES

名称与别名

共 13 条

2-(4,5-diphenyl-1,3-oxazol-2-ylthio)acetic acidOprea1_159182Oprea1_606967SCHEMBL11752279STVVIBPFTMJJIZ-UHFFFAOYSA-NSBB039267STK978237AKOS0002677974,5-diphenyl-2-oxazolylmercaptoacetic acidST50142927[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetic acidZ56765831S-(4,5-DIPHENYLOXAZOL-2-yl)-MERCAPTOACETIC ACID

REACTIONS

参与反应

4 条

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

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uspto-grants-1977_01 · 10.6084/m9.figshare.5104873.v1 · US04001228

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uspto-grants-1976_01 · 10.6084/m9.figshare.5104873.v1 · US03933840

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uspto-grants-1977_09 · 10.6084/m9.figshare.5104873.v1 · US04051250

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