EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13N3O2 |
| Net Charge | 0 |
| Average Mass | 279.299 |
| Monoisotopic Mass | 279.10078 |
| SMILES | Cc1ccccc1-c1nc(C#N)c(NCc2ccco2)o1 |
| InChI | InChI=1S/C16H13N3O2/c1-11-5-2-3-7-13(11)15-19-14(9-17)16(21-15)18-10-12-6-4-8-20-12/h2-8,18H,10H2,1H3 |
| InChIKey | SMTUPGSVCXEPHW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(2-furanylmethylamino)-2-(2-methylphenyl)-4-oxazolecarbonitrile (CHEBI:107301) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18655 | LINCS |