2-(4-ブロモフェニル)-4,5-ジヒドロ-4,4-ジメチルオキサゾール

2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole

HCID 403395CAS 32664-14-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)COC(c2ccc(Br)cc2)=N1
InChIKey: GXWMQSSSRSHOBL-UHFFFAOYSA-N
分子式: C11H12BrNO
平均分子量: 254.12 g/mol
単同位体質量: 253.0102261

名称と識別子

優先名称: 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole
IUPAC: 2-(4-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
現地名: 2-(4-ブロモフェニル)-4,5-ジヒドロ-4,4-ジメチルオキサゾール
英語名: 2-(4-Bromo-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole
分子式: C11H12BrNO
分子量: 254.12

名称と別名

32664-14-52-(4-bromophenyl)-4,4-dimethyl-4,5-dihydrooxazoleRefChem:10611762-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole2-(4-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole2-(4-BROMO-PHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-OXAZOLEMFCD008083782-(4-BROMOPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE2-(4-bromophenyl)-4,4-dimethyl-5H-oxazole4,4-dimethyl-2-(4-bromophenyl)-2-oxazolineF2189-00862-(4-Bromophenyl)-4,4-dimethyl-2-oxazoline; 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole; 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole; 2-(4-Bromophenyl)-4,4-dimethyloxazoline; 2-(4-Bromophenyl)-4,5-dihydro-4,4-dimethyloxazole;2-(p-Bromophenyl)-4,4-dimethyl-2-oxazoline

名称をさらに表示

2-(4-ブロモフェニル)-4,5-ジヒドロ-4,4-ジメチルオキサゾール2-(4-BrPh)-OxazolineOxazole, 2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl-

Oxazole, 4,5-dihydro-2-(4-bromophenyl)-4,4-dimethyl-2-(4-bromophenyl)-4,4-dimethyl-2-oxazoline2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl-oxazoleSCHEMBL1763999Oxazole,2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl-2-(4-bromophenyl)-4,4-dimethyl4,5-dihydro-1,3-oxazoleDTXSID80328032SMSSF-0018186

データベース識別子

CAS: 32664-14-5
PubChem CID: 403395
DTXSID: DTXSID80328032
Nikkaji: J1.632.242C

物性

構造計算による物性

XLogP: 2.7
極性表面積: 21.6 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 242

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、DCM、酢酸エチル
外見: 個体
色: 白い
InChI: InChI=1S/C11H12BrNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKey: GXWMQSSSRSHOBL-UHFFFAOYSA-N
SMILES: O1CC(C)(C)N=C1C1=CC=C(Br)C=C1

安全と法規制

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用4,4-Dimethyl-2-(4-bromophenyl)-2-oxazoline is an potential substituent in the synthesis of new series of potent benzodiazepine γ-secretase inhibitors with potential use in the treatment of Alzheimer’s disease.