EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121373 - 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone

ChEBI IDCHEBI:121373
ChEBI Name2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone
Stars
DownloadsMolfile
FormulaC21H29N3O4S
Net Charge0
Average Mass419.547
Monoisotopic Mass419.18788
SMILESCCN1CCN(C(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1
InChIInChI=1S/C21H29N3O4S/c1-5-23-8-10-24(11-9-23)20(25)14-29-13-17-15(2)28-21(22-17)16-6-7-18(26-3)19(12-16)27-4/h6-7,12H,5,8-11,13-14H2,1-4H3
InChIKeyHUNNUZABMQGNGT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone (CHEBI:121373) is a 1,3-oxazoles (CHEBI:46812)
Manual XrefsDatabases
LSM-32816LINCS