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2-hydroxy-N-(1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide

HCID 67458570
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Basic information

Standard SMILES
CC(NC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1)c1nncn1C
InChIKey
WIYLYFSFYDQVBP-UHFFFAOYSA-N
Molecular formula
C25H20F3N7O4
Average molar mass
539.5 g/mol

Names & identifiers

Preferred name
2-hydroxy-N-(1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide
IUPAC
2-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

Names & synonyms

2-hydroxy-N-(1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamideSCHEMBL2575183

Database identifiers

PubChem CID
67458570

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
145 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
7
Heavy atoms
39
Formal charge
0
Complexity
828

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Related reactions

1 records
New reaction record
HRID 77229 reaction equation
HRID 77229As productuspto-grants-2014_09

Compound notes

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