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

HCID 53496992
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Basic information

Standard SMILES
CNC(=O)[C@@H](NC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1)C(C)(C)C
InChIKey
PAZMJRJAHCBSBO-VGAJERRHSA-N
Molecular formula
C27H26F3N5O5
Average molar mass
557.5 g/mol

Names & identifiers

Preferred name
(S)-2-((R/S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)-N,3,3-trimethylbutanamide
IUPAC
(2S)-2-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]-N,3,3-trimethylbutanamide

Names & synonyms

(S)-2-((R/S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)-N,3,3-trimethylbutanamideSCHEMBL2573181

Database identifiers

PubChem CID
53496992

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
143 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
40

Related reactions

1 records
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Compound notes

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