CAS 876616-92-1 2-(4-Bromo-phenyl)-5-methyl-4-(2-pyrrolidin-1-yl-ethyl)-oxazole (HCID 11681546)

기본 정보

CAS: 876616-92-1
표준 SMILES: Cc1oc(-c2ccc(Br)cc2)nc1CCN1CCCC1
InChIKey: ZQHAWHYNSSTKBW-UHFFFAOYSA-N
분자식: C16H19BrN2O
평균 분자량: 335.24 g/mol
단동위원소 질량: 334.06807533

이름 및 식별자

우선 이름: 2-(4-Bromo-phenyl)-5-methyl-4-(2-pyrrolidin-1-yl-ethyl)-oxazole
IUPAC: 2-(4-bromophenyl)-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole

이름 및 동의어

2-(4-Bromo-phenyl)-5-methyl-4-(2-pyrrolidin-1-yl-ethyl)-oxazole876616-92-1SCHEMBL3583894DTXSID10470558ZQHAWHYNSSTKBW-UHFFFAOYSA-N2-(4-BROMOPHENYL)-5-METHYL-4-[2-(PYRROLIDIN-1-YL)ETHYL]-1,3-OXAZOLE

데이터베이스 식별자

CAS: 876616-92-1
PubChem CID: 11681546
DTXSID: DTXSID10470558

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 301

관련 반응

34건

반응 기록 만들기

HRID 177539반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 196744반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 291411반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 313243반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 667497반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 699615반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 823708반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 824036반응물로Test data from https://doi.org/10.1039/C8SC04228D

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