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CHEBI:83269 - (R)-oxathiapiprolin

ChEBI IDCHEBI:83269
ChEBI Name(R)-oxathiapiprolin
Stars
ASCII Name(R)-oxathiapiprolin
DefinitionA 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone that has R configuration at position 5 of the 4,5-dihydro-1,2-oxazole ring.
Last Modified10 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H22F5N5O2S
Net Charge0
Average Mass539.530
Monoisotopic Mass539.14144
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3=NO[C@@H](c4c(F)cccc4F)C3)cs2)CC1
InChIInChI=1S/C24H22F5N5O2S/c1-13-9-20(24(27,28)29)31-34(13)11-21(35)33-7-5-14(6-8-33)23-30-18(12-37-23)17-10-19(36-32-17)22-15(25)3-2-4-16(22)26/h2-4,9,12,14,19H,5-8,10-11H2,1H3/t19-/m1/s1
InChIKeyIAQLCKZJGNTRDO-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-oxathiapiprolin (CHEBI:83269) is a 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone (CHEBI:83271)
(R)-oxathiapiprolin (CHEBI:83269) is enantiomer of (S)-oxathiapiprolin (CHEBI:83270)
Incoming Relation(s)
oxathiapiprolin (CHEBI:83268) has part (R)-oxathiapiprolin (CHEBI:83269)
(S)-oxathiapiprolin (CHEBI:83270) is enantiomer of (R)-oxathiapiprolin (CHEBI:83269)
IUPAC Name 
1-(4-{4-[(5R)-5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
Registry NumbersSources
Reaxys:13087446Reaxys