5-(3-Chloro-phenyl)-2-methyl-oxazole-4-carboxylic acid (2-{2-[1-(tert-butyl-dimethyl-silanyloxy)-ethyl]-oxazol-5-ylmethyl}-2H-[1,2,3]triazol-4-yl)-amide
기본 정보
- 표준 SMILES
Cc1nc(C(=O)Nc2cnn(Cc3cnc(C(C)O[Si](C)(C)C(C)(C)C)o3)n2)c(-c2cccc(Cl)c2)o1- InChIKey
NQIRDQQDQQJGSJ-UHFFFAOYSA-N- 분자식
- C25H31ClN6O4Si
- 평균 분자량
- 543.1 g/mol
- 단동위원소 질량
- 542.1864577
이름 및 식별자
- 우선 이름
- 5-(3-Chloro-phenyl)-2-methyl-oxazole-4-carboxylic acid (2-{2-[1-(tert-butyl-dimethyl-silanyloxy)-ethyl]-oxazol-5-ylmethyl}-2H-[1,2,3]triazol-4-yl)-amide
- IUPAC
- N-[2-[[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazol-5-yl]methyl]triazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
이름 및 동의어
SCHEMBL2327126NQIRDQQDQQJGSJ-UHFFFAOYSA-N5-(3-Chloro-phenyl)-2-methyl-oxazole-4-carboxylic acid (2-{2-[1-(tert-butyl-dimethyl-silanyloxy)-ethyl]-oxazol-5-ylmethyl}-2H-[1,2,3]triazol-4-yl)-amide
데이터베이스 식별자
- PubChem CID
- 67365084
물성
구조 계산 물성
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 789
관련 반응
4건
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