3-(2-(4,7-Dimethylbenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
基本情報
- CAS
135560-40-6- 標準SMILES
CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C- InChIKey
XKSPCHATHZHOGY-UHFFFAOYSA-N- 分子式
- C19H22N2O2
- 平均分子量
- 310.4 g/mol
- 単同位体質量
- 310.16812795
名称と識別子
- 優先名称
- 3-(2-(4,7-Dimethylbenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
- IUPAC
- 3-[2-(4,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
名称と別名
135560-40-63-(2-(4,7-Dimethylbenzo[d]oxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one3-(2-(4,7-Dimethylbenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-oneCHEMBL3297203-[2-(4,7-Dimethylbenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-onePyridinone deriv. 152-Pyridinone derivative 203-[2-(4,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-oneBDBM2222SCHEMBL9283877DTXSID40159465XKSPCHATHZHOGY-UHFFFAOYSA-N
名称をさらに表示
3-[2-(4,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1,2-dihydropyridin-2-oneDB-3785163-[2-(4,7-Dimethyl-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one3-[2-(4,7-Dimethyl-2-benzoxazolyl)ethyl]-5-ethyl-6-methyl-2(1H)-pyridinone3-[2-(4,7-dimethylbenzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-2(1H)-pyridinone
データベース識別子
- CAS
135560-40-6- PubChem CID
- 453444
- DTXSID
DTXSID40159465- ChEMBL
CHEMBL329720- Nikkaji
- J425.105I
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 55.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 537
関連反応
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