HCID65865

Nerbacadol

(5-methyl-1,2-oxazol-4-yl)-piperidin-1-ylmethanone

C10H14N2O2194.23 g/molCAS 99803-72-2

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IDENTITY

结构与身份

标准SMILES: Cc1oncc1C(=O)N1CCCCC1
InChIKey: ZWNGSOLJLMBZFZ-UHFFFAOYSA-N
分子式: C10H14N2O2
平均分子量: 194.23 g/mol
单同位素质量: 194.10552769

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 46.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 214

ALIASES

名称与别名

共 31 条

Nerbacadol99803-72-2Nerbacadol [INN]NerbacadolumNerbacadolum [Latin]1-((5-Methyl-4-isoxazolyl)carbonyl)piperidineN-(5-Methyl-4-isoxazolylcarbonyl)piperidineUNII-A9W1Q28TT2A9W1Q28TT2DTXSID70244257Piperidine, 1-((5-methyl-4-isoxazolyl)carbonyl)-Nerbacadolum (Latin)RefChem:165491DTXCID701667481-(5-METHYL-1,2-OXAZOLE-4-CARBONYL)PIPERIDINE(5-methyl-1,2-oxazol-4-yl)-piperidin-1-ylmethanone(5-methylisoxazol-4-yl)(piperidin-1-yl)methanoneSCHEMBL2109466CHEMBL2104808ZWNGSOLJLMBZFZ-UHFFFAOYSA-N

REACTIONS

参与反应

2 条

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

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uspto-grants-1987_01 · 10.6084/m9.figshare.5104873.v1 · US04636513

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