CHEBI:46479 - 3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-trifluoromethyl-1,2,4-oxadiazole

ChEBI IDCHEBI:46479
ChEBI Name3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-trifluoromethyl-1,2,4-oxadiazole
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Last Modified22 February 2017
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FormulaC18H18F3N3O3
Net Charge0
Average Mass381.354
Monoisotopic Mass381.13003
SMILESCc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1
InChIInChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
InChIKeyKQOXLKOJHVFTRN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-trifluoromethyl-1,2,4-oxadiazole (CHEBI:46479) is a 1,2,4-oxadiazole (CHEBI:46809)
3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-trifluoromethyl-1,2,4-oxadiazole (CHEBI:46479) is a isoxazoles (CHEBI:55373)
3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-trifluoromethyl-1,2,4-oxadiazole (CHEBI:46479) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazolePDBeChem
3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLEPDBeChem
picovirDrugCentral
Manual XrefsDatabases
W11PDBeChem
4690DrugCentral
Registry NumbersSources
CAS:153168-05-9DrugCentral