HCID2747584

5-Methyl-3-phenyl-4-isoxazolamine

5-methyl-3-phenyl-1,2-oxazol-4-amine

C10H10N2O174.2 g/molCAS 21169-65-3

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IDENTITY

结构与身份

标准SMILES: Cc1onc(-c2ccccc2)c1N
InChIKey: QWMOVJWPTZATFS-UHFFFAOYSA-N
分子式: C10H10N2O
平均分子量: 174.2 g/mol
单同位素质量: 174.07931295

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 52.1 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 168

ALIASES

名称与别名

共 28 条

21169-65-35-METHYL-3-PHENYL-4-ISOXAZOLAMINEDTXSID00372673RefChem:304148DTXCID403237055-Methyl-3-phenylisoxazol-4-amine5-methyl-3-phenyl-1,2-oxazol-4-amineMFCD026777264-Amino-5-methyl-3-phenylisoxazole3-phenyl-5-methyl-4-aminoisoxazole4-Isoxazolamine, 5-methyl-3-phenyl-Maybridge3_007577SCHEMBL657826CHEMBL3527220QWMOVJWPTZATFS-UHFFFAOYSA-NHMS1452L155-methyl-3-phenyl-isoxazol-4-amineCCG-55506SBB0889165-methyl-3-phenylisoxazole-4-ylamine

REACTIONS

参与反应

29 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

uspto-grants-2014_09

作为反应物

HRID 71448 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822685B2

uspto-grants-2014_09

作为反应物

HRID 76557 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835430B2

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

作为反应物

HRID 90182 方程式

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

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

作为反应物

HRID 177264 方程式

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

uspto-grants-2009_07

作为反应物

HRID 226715 方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557210B2

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

作为反应物

HRID 308372 方程式

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

uspto-grants-2014_06

作为反应物

HRID 405444 方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748597B2

uspto-grants-2016_05

作为反应物

HRID 528229 方程式

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346765B2