EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:41198 - 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
| Formula | C12H11N3O5 |
| Net Charge | 0 |
| Average Mass | 277.236 |
| Monoisotopic Mass | 277.06987 |
| SMILES | O=C(O)CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 |
| InChI | InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17) |
| InChIKey | LQQYZJRCWBRIMW-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) has functional parent butyric acid (CHEBI:30772) |
| 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) is a C-nitro compound (CHEBI:35716) |
| 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) is a 1,2,4-oxadiazole (CHEBI:46809) |
| 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CHEBI:41198) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid |
| Synonyms | Source |
|---|---|
| 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID | PDBeChem |
| 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-butanoic acid | ChEBI |