기본 정보
- 표준 SMILES
CC(C)(C1=NC(c2ccccc2)CO1)C1=NC(c2ccccc2)CO1- InChIKey
JTNVCJCSECAMLD-UHFFFAOYSA-N- 분자식
- C21H22N2O2
- 평균 분자량
- 334.4 g/mol
- 단동위원소 질량
- 334.16812795
이름 및 식별자
- 우선 이름
- 2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
- IUPAC
- 4-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
이름 및 동의어
276254-59-22,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)4-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazoleMFCD01457297Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-phenyl-(4S)-2-[1-((4S)-4-phenyl(1,3-oxazolin-2-yl))-isopropyl]-4-phenyl-1,3-oxazoline(R,R)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)(S,S)-2,2'-ISOPROPYLIDENE-BIS(4-PHENYL-2-OXAZOLINE)C21H22N2O2SCHEMBL1005028rel-(4R,4'R)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4-phenyloxazole]rel-(4R,4'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4-phenyloxazole]
이름 더 보기
AKOS024282415AB895392-[1-methyl-1-(4-phenyl-4,5-dihydrooxazol-2-yl)ethyl]-4-phenyl-4,5-dihydrooxazoleCS-16555isopropylidene-bis(4-phenyl-2-oxazoline)ST056178SY553792DB-043058
데이터베이스 식별자
- PubChem CID
- 3957686
- Nikkaji
- J1.202.630G
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 43.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 482
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