(4R,5R)-4,5-Dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-4-oxazolemethanol

HCID 14760451
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기본 정보

표준 SMILES
CS(=O)(=O)c1ccc(C2OC(c3ccccc3)=NC2CO)cc1
InChIKey
BOCXPQQPWOKDFW-UHFFFAOYSA-N
분자식
C17H17NO4S
평균 분자량
331.4 g/mol
단동위원소 질량
331.0878292

이름 및 식별자

우선 이름
(4R,5R)-4,5-Dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-4-oxazolemethanol
IUPAC
[5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

이름 및 동의어

(4R,5R)-4,5-Dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-4-oxazolemethanolMFCD290661631357626-00-6SCHEMBL1844104[5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol[5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydrooxazol-4-yl]methanol4,5-Dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-4-oxazolemethanol4,5-Dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-4-oxazolemethanol, 97%(4R-trans)-4,5-Dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-4-oxazolemethanol; D-threo-4,5-Dihydro-5-(4-methylsulfonylphenyl)-2-phenyl-4-oxazole-methanol;

데이터베이스 식별자

PubChem CID
14760451

물성

구조 계산 물성

XLogP
1.6
극성 표면적
84.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
23

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