기본 정보
- CAS
98033-68-2- 표준 SMILES
Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2Cl)on1- InChIKey
FCSKOFQQCWLGMV-UHFFFAOYSA-N- 분자식
- C18H21ClN2O3
- 평균 분자량
- 348.8 g/mol
- 단동위원소 질량
- 348.1240702
개요
5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole is an isoxazole compound having a methyl substituent at the 3-position and a 5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl substituent at the 5-position. It has a role as an antiviral agent. It is a member of isoxazoles and a member of monochlorobenzenes.
이름 및 식별자
- 우선 이름
- 5-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
- IUPAC
- 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
이름 및 동의어
Win 5333898033-68-2Win-53338IVZ08DAW255-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazoleDTXSID50913499WIN53338Isoxazole, 5-(5-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl-5-{5-[2-Chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole5-(5-(2-CHLORO-4-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)PHENOXY)PENTYL)-3-METHYL-1,2-OXAZOLEIsoxazole, 5-[5-[2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methyl-RefChem:530517
이름 더 보기
DTXCID3013425035-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazoleCompound VII5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazoleUNII-IVZ08DAW25CHEMBL6444
데이터베이스 식별자
- CAS
98033-68-2- PubChem CID
- 1788
- DTXSID
DTXSID50913499
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 56.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 421
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP4.3
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