基本情報
- CAS
98034-30-1- 標準SMILES
Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1- InChIKey
IWZDYGHUSXWPPM-UHFFFAOYSA-N- 分子式
- C18H22N2O3
- 平均分子量
- 314.4 g/mol
- 単同位体質量
- 314.16304257
概要
WIN VI is an aromatic ether.
名称と識別子
- 優先名称
- Win 52035
- IUPAC
- 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
名称と別名
98034-30-1Win 52035Win-52035DTXSID30243387RefChem:530518DTXCID30165878WIN VI5-(5-(4-(4,5-Dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazoleAPD6GOX5WK5-(5-(4-(4,5-Dihydrooxazol-2-yl)phenoxy)pentyl)-3-methylisoxazole5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole
名称をさらに表示
5-[5-[4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole5-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole5-{5-[4-(4,5-Dihydro-2-oxazolyl)phenoxy]pentyl}-3-methylisoxazoleIsoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl-Isoxazole, 5-[5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methyl-5-(5-(4-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)PHENOXY)PENTYL)-3-METHYL-1,2-OXAZOLEWin 52035-2UNII-APD6GOX5WK
データベース識別子
- CAS
98034-30-1- PubChem CID
- 1786
- DTXSID
DTXSID30243387- ChEMBL
CHEMBL266800- ChEBI
CHEBI:10028- UNII
- APD6GOX5WK
- Nikkaji
- J294.090F
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 56.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 8
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 380
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.83
関連反応
4 件
化合物ノート
読み込み中…