4-acetylbenzo[d]oxazol-2(3H)-one
| Internal ID | 13712f34-1cb3-47ca-9779-d4f45861f844 |
| Taxonomy | Organoheterocyclic compounds > Benzoxazoles > Benzoxazolones |
| IUPAC Name | 4-acetyl-3H-1,3-benzoxazol-2-one |
| SMILES (Canonical) | CC(=O)C1=C2C(=CC=C1)OC(=O)N2 |
| SMILES (Isomeric) | CC(=O)C1=C2C(=CC=C1)OC(=O)N2 |
| InChI | InChI=1S/C9H7NO3/c1-5(11)6-3-2-4-7-8(6)10-9(12)13-7/h2-4H,1H3,(H,10,12) |
| InChI Key | FZAQRVWPQCXSPC-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.16 g/mol |
| Exact Mass | 177.042593085 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 0.80 |
| 70735-79-4 |
| 4-ACETYL-2-BENZOXAZOLINONE |
| 4-acetyl-3H-1,3-benzoxazol-2-one |
| 4-acetyl-2(3H)-Benzoxazolone |
| 4-ACETYL-2-HYDROXYBENZOXAZOLE |
| 4-acetylbenzoxazolin-2-one |
| 2(3H)-Benzoxazolone, 4-acetyl- |
| 4-acetyl-benzoxazolin-2-one |
| 4-acetyl-3H-benzoxazol-2-one |
| SCHEMBL3546681 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 4-acetylbenzo[d]oxazol-2(3H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-acetylbenzodoxazol-23h-one.jpg "2D Structure of 4-acetylbenzo[d]oxazol-2(3H)-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.02% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.42% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.69% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.86% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.50% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.79% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.12% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.69% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.95% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.77% | 96.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.16% | 81.11% |
| PubChem | 9989779 |
| LOTUS | LTS0105519 |
| wikiData | Q72434829 |