기본 정보
- CAS
1170042-55-3- 표준 SMILES
CCOC(=O)c1nc(C(C)Cn2cc(C)cn2)no1- InChIKey
JFJAGXQLLMXGRS-UHFFFAOYSA-N- 분자식
- C12H16N4O3
- 평균 분자량
- 264.28 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
- IUPAC
- ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
- 영어명
- ethyl 3-[1-methyl-2-(4-methyl-1H-pyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxylate
- 분자식
- C12H16N4O3
- 분자량
- 264.28
이름 및 동의어
1170042-55-3Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylateethyl 3-[1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylateMFCD09859308SBB026102STK353029AKOS005168391ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylateEthyl 3-[1-methyl-2-(4-methyl-1H-pyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxylateCS-0298990EN300-231972ethyl 3-[1-methyl-2-(4-methylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxylate
이름 더 보기
1,2,4-Oxadiazole-5-carboxylic acid, 3-[1-methyl-2-(4-methyl-1H-pyrazol-1-yl)ethyl]-, ethyl ester
ethyl 3-[1-methyl-2-(4-methylpyrazolyl)ethyl]-1,2,4-oxadiazole-5-carboxylateEthyl3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
데이터베이스 식별자
- CAS
1170042-55-3
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 83 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 315
물리화학적 성질
- 끓는 점
- 409.2 · 409.2±47.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.47 · 2.47±0.10(Predicted)
화학 및 산업
공급사1 곳
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
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