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CHEBI:83827 - (3R,5S)-pyrisoxazole

ChEBI IDCHEBI:83827
ChEBI Name(3R,5S)-pyrisoxazole
Stars
ASCII Name(3R,5S)-pyrisoxazole
DefinitionA 3-[5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine that is the (3R,5S)-diastereomer of pyrisoxazole.
Last Modified20 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H17ClN2O
Net Charge0
Average Mass288.778
Monoisotopic Mass288.10294
SMILESCN1O[C@H](c2ccc(Cl)cc2)C[C@]1(C)c1cccnc1
InChIInChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15-,16+/m0/s1
InChIKeyDHTJFQWHCVTNRY-JKSUJKDBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,5S)-pyrisoxazole (CHEBI:83827) is a 3-[5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine (CHEBI:83825)
Incoming Relation(s)
pyrisoxazole (CHEBI:83823) has part (3R,5S)-pyrisoxazole (CHEBI:83827)
IUPAC Name 
3-[(3R,5S)-5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine
Registry NumbersSources
CAS:291771-83-0ChemIDplus