3-(2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)-N-(2-hydroxy-2-methylpropyl)propanamide

HCID 53496599
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기본 정보

표준 SMILES
CC(C)(O)CNC(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIKey
NCSSHEINVZSGIO-UHFFFAOYSA-N
분자식
C27H26F3N5O6
평균 분자량
573.5 g/mol

이름 및 식별자

우선 이름
3-(2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)-N-(2-hydroxy-2-methylpropyl)propanamide
IUPAC
N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide

이름 및 동의어

(R/S)-3-(2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)-N-(2-hydroxy-2-methylpropyl)propanamideSCHEMBL2572739CHEMBL3686125BDBM131700US8835470, 63-(2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)-N-(2-hydroxy-2-methylpropyl)propanamide

데이터베이스 식별자

PubChem CID
53496599
ChEMBL
CHEMBL3686125

물성

구조 계산 물성

XLogP
2.3
극성 표면적
164 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
12
회전 가능 결합 수
10
무거운 원자 수
41

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