2-(4-브로모-페닐)-4,4-디메틸-4,5-디하이드로-옥사졸

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

HCID 403395CAS 32664-14-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)COC(c2ccc(Br)cc2)=N1
InChIKey: GXWMQSSSRSHOBL-UHFFFAOYSA-N
분자식: C11H12BrNO
평균 분자량: 254.12 g/mol
단동위원소 질량: 253.0102261

이름 및 식별자

우선 이름: 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole
IUPAC: 2-(4-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
현지명: 2-(4-브로모-페닐)-4,4-디메틸-4,5-디하이드로-옥사졸
영어명: 2-(4-Bromo-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole
분자식: C11H12BrNO
분자량: 254.12

이름 및 동의어

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

이름 더 보기

2-(4-브로모-페닐)-4,4-디메틸-4,5-디하이드로-옥사졸2-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 21.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 242

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, DCM, 에틸아세테이트 에 용해됨
물리적 상태: 고체
색상: 하얀색
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

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도4,4-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.