EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47729 - 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole

ChEBI IDCHEBI:47729
ChEBI Name5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole
Stars
Last Modified26 October 2017
DownloadsMolfile
FormulaC21H26Cl2N2O6
Net Charge0
Average Mass473.353
Monoisotopic Mass472.11679
SMILESOCCOCOCc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1
InChIInChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2
InChIKeyJLSNWEWWUSOSMP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole (CHEBI:47729) is a aromatic ether (CHEBI:35618)
Synonyms  Source
2-{[(5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}isoxazol-3-yl)methoxy]methoxy}ethanolPDBeChem
5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLEPDBeChem
5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazoleKEGG COMPOUND
Compound WIN VIIIKEGG COMPOUND
Manual XrefsDatabases
W42PDBeChem
C06491KEGG COMPOUND