基本情報
- CAS
98033-68-2- 標準SMILES
Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2Cl)on1- InChIKey
FCSKOFQQCWLGMV-UHFFFAOYSA-N- 分子式
- C18H21ClN2O3
- 平均分子量
- 348.8 g/mol
- 単同位体質量
- 348.1240702
概要
5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole is an isoxazole compound having a methyl substituent at the 3-position and a 5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl substituent at the 5-position. It has a role as an antiviral agent. It is a member of isoxazoles and a member of monochlorobenzenes.
名称と識別子
- 優先名称
- 5-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
- IUPAC
- 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
名称と別名
Win 5333898033-68-2Win-53338IVZ08DAW255-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazoleDTXSID50913499WIN53338Isoxazole, 5-(5-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl-5-{5-[2-Chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole5-(5-(2-CHLORO-4-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)PHENOXY)PENTYL)-3-METHYL-1,2-OXAZOLEIsoxazole, 5-[5-[2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methyl-RefChem:530517
名称をさらに表示
DTXCID3013425035-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazoleCompound VII5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazoleUNII-IVZ08DAW25CHEMBL6444
データベース識別子
- CAS
98033-68-2- PubChem CID
- 1788
- DTXSID
DTXSID50913499
物性
構造計算による物性
- XLogP
- 4
- 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
- 24
- 形式電荷
- 0
- 複雑度
- 421
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LogP4.3
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