3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine-N-oxide

HCID 19082047

Basic information

Standard SMILES
Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1ccc[n+]([O-])c1
InChIKey
XLLZGBZXZFNPCR-UHFFFAOYSA-N
Molecular formula
C19H18F3N3O3
Average molar mass
393.4 g/mol

Names & identifiers

Preferred name
3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine-N-oxide
IUPAC
3-[3,5-dimethyl-4-[3-(1-oxidopyridin-1-ium-3-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

Names & synonyms

3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine-N-oxideSCHEMBL89233263-[3-[4-(5trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine-N-oxide

Database identifiers

PubChem CID
19082047

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
73.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
28

Related reactions

3 records

Linked notes

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