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CHEBI:229510 - 2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole

ChEBI IDCHEBI:229510
ChEBI Name2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole
Stars
DefinitionA 1,3-benzoxazole substituted by 5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl and (trifluoromethyl)sulfinyl groups at positions 2 and 5, respectively.
Last Modified31 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC18H15F3N2O4S2
Net Charge0
Average Mass444.456
Monoisotopic Mass444.04253
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(S(=O)C(F)(F)F)ccc2o1
InChIInChI=1S/C18H15F3N2O4S2/c1-2-29(25,26)15-7-11(10-3-4-10)9-22-16(15)17-23-13-8-12(5-6-14(13)27-17)28(24)18(19,20)21/h5-10H,2-4H2,1H3
InChIKeyFOVXPVMLSMQSKD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510) is a 1,3-benzoxazoles (CHEBI:51548)
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510) is a cyclopropanes (CHEBI:51454)
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510) is a organofluorine compound (CHEBI:37143)
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510) is a pyridines (CHEBI:26421)
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510) is a sulfone (CHEBI:35850)
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510) is a sulfoxide (CHEBI:22063)
Incoming Relation(s)
(R)-cybenzoxasulfyl (CHEBI:229505) is a 2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510)
(S)-cybenzoxasulfyl (CHEBI:229506) is a 2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510)
IUPAC Name 
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole
Synonyms  Source
2-[5-cyclopropyl-3-(ethylsulfonyl)-2-pyridinyl]-5-[(trifluoromethyl)sulfinyl]benzoxazoleChEBI
2-[5-cyclopropyl-3-(ethylsulfonyl)-2-pyridyl]-1,3-benzoxazol-5-yl trifluoromethyl sulfoxideChEBI