EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15N3O2 |
| Net Charge | 0 |
| Average Mass | 281.315 |
| Monoisotopic Mass | 281.11643 |
| SMILES | CCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 |
| InChI | InChI=1S/C16H15N3O2/c1-2-3-15(20)18-12-4-5-14-13(10-12)19-16(21-14)11-6-8-17-9-7-11/h4-10H,2-3H2,1H3,(H,18,20) |
| InChIKey | DRSCWSKFWPKNNR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide (CHEBI:116190) is a benzoxazole (CHEBI:46700) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27646 | LINCS |