4-[5-(2-Cyclopentyl-6-methoxy-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methyl-phenol
基本情報
- CAS
1262414-06-1- 標準SMILES
CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1O- InChIKey
WQFVTOXIOBZZFP-UHFFFAOYSA-N- 分子式
- C22H25N3O3
- 平均分子量
- 379.5 g/mol
- 単同位体質量
- 379.18959167
名称と識別子
- 優先名称
- 4-[5-(2-Cyclopentyl-6-methoxy-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methyl-phenol
- IUPAC
- 4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenol
名称と別名
1262414-06-14-(5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenol4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methyl-phenol4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenolPhenol, 4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-SCHEMBL2671016WQFVTOXIOBZZFP-UHFFFAOYSA-NDTXSID0011256154-[5-(2-Cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenol
データベース識別子
- CAS
1262414-06-1- PubChem CID
- 136391015
- DTXSID
DTXSID001125615
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 81.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 501
関連反応
6 件
化合物ノート
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