Ethyl (4S)-2-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]4-cyclohexylbutyl}-4,5-dihydro-1,3-oxazole-4-carboxylate

HCID 59909855

기본 정보

표준 SMILES
CCOC(=O)[C@@H]1COC([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)=N1
InChIKey
BXBMEWACALDXJT-MSOLQXFVSA-N
분자식
C22H37NO5
평균 분자량
395.5 g/mol

이름 및 식별자

우선 이름
Ethyl (4S)-2-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]4-cyclohexylbutyl}-4,5-dihydro-1,3-oxazole-4-carboxylate
IUPAC
ethyl (4S)-2-[(3R)-6-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-3-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate

이름 및 동의어

SCHEMBL5412023BXBMEWACALDXJT-MSOLQXFVSA-Nethyl (4S)-2-[(1R)-1-(2-tert-butoxy-2-oxoethyl)-4-cyclohexylbutyl]-4,5-dihydro-1,3-oxazole-4-carboxylateEthyl (4S)-2-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]-4-cyclohexylbutyl}-4,5-dihydro-1,3-oxazole-4-carboxylateEthyl (4S)-2-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]4-cyclohexylbutyl}-4,5-dihydro-1,3-oxazole-4-carboxylateethyl(4S)-2-[(1R)-1-(2-tert-butoxy-2-oxoethyl)-4-cyclohexylbutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

데이터베이스 식별자

PubChem CID
59909855

물성

구조 계산 물성

XLogP
5.2
극성 표면적
74.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
12
무거운 원자 수
28

관련 반응

9건

화합물 노트

불러오는 중…