2-hydroxy-N-(2-hydroxyethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide

HCID 53496459
노트반응
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기본 정보

표준 SMILES
O=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIKey
ZHTTYLCDZHOSBW-UHFFFAOYSA-N
분자식
C22H17F3N4O5
평균 분자량
474.4 g/mol
단동위원소 질량
474.11510414

이름 및 식별자

우선 이름
2-hydroxy-N-(2-hydroxyethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide
IUPAC
2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

이름 및 동의어

2-hydroxy-N-(2-hydroxyethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamideSCHEMBL2577014CHEMBL3686139BDBM131714US8835470, 71(R/S)-2-hydroxy-N-(2-hydroxyethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide

데이터베이스 식별자

PubChem CID
53496459
ChEMBL
CHEMBL3686139

물성

구조 계산 물성

XLogP
2.5
극성 표면적
135 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
11
회전 가능 결합 수
7
무거운 원자 수
34

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