기본 정보
- CAS
105639-13-2- 표준 SMILES
Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C=O)on1- InChIKey
YBGQCIYWZSXFLF-UHFFFAOYSA-N- 분자식
- C19H22N2O4
- 평균 분자량
- 342.4 g/mol
- 단동위원소 질량
- 342.15795718
이름 및 식별자
- 우선 이름
- Benzaldehyde, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)-
- IUPAC
- 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzaldehyde
이름 및 동의어
105639-13-2Benzaldehyde, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)-5-(4,5-Dihydrooxazol-2-yl)-2-((5-(3-methylisoxazol-5-yl)pentyl)oxy)benzaldehyde5-{5-[4-(4,5-dihydro-2-oxazolyl)-2-formylphenoxy]pentyl]-3-methylisoxazole5-{5-[4-(4,5-dihydro-2-oxazolyl)-2-formylphenoxy]pentyl}-3-methylisoxazoleBenzaldehyde, 5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]-CHEMBL434050SCHEMBL9862905DTXSID10147238YBGQCIYWZSXFLF-UHFFFAOYSA-N5-(4,5-dihydrooxazol-2-yl)-2-[5-(3-methylisoxazol-5-yl)pentoxy]benzaldehyde5-{5-[2-formyl-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-methylisoxazole
이름 더 보기
5-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)-2-{[5-(3-METHYL-1,2-OXAZOL-5-YL)PENTYL]OXY}BENZALDEHYDE
데이터베이스 식별자
- CAS
105639-13-2- PubChem CID
- 5271233
- DTXSID
DTXSID10147238- ChEMBL
CHEMBL434050
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 457
관련 반응
11건
화합물 노트
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