EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174322 - Methylhalfordinol

ChEBI IDCHEBI:174322
ChEBI NameMethylhalfordinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12N2O2
Net Charge0
Average Mass252.273
Monoisotopic Mass252.08988
SMILESCOc1ccc(-c2cnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C15H12N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-15(19-14)12-3-2-8-16-9-12/h2-10H,1H3
InChIKeyLHPXYPROPRFEQE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methylhalfordinol (CHEBI:174322) is a 1,3-oxazoles (CHEBI:46812)
IUPAC Name 
5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
Manual XrefsDatabases
HMDB0038571HMDB
809295ChemSpider
Registry NumbersSources
CAS:33864-03-8ChemIDplus