HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Methyl-3-(pyridin-4-yl)-1,2,4-oxadiazol-5(4H)-one

Identifiers & Physical Properties
| CAS No. | 64908-12-9 |
|---|---|
| Molecular formula | C8H7N3O2 |
| Average molar mass | 177.16 g/mol |
| Monoisotopic mass | 177.05382648 g/mol |
| SMILES | Cn1c(-c2ccncc2)noc1=O |
| InChIKey | JTTXNQWJNRMNPF-UHFFFAOYSA-N |
| PubChem CID | 12370184 |
| DTXSID | DTXSID30494776 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 54.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 246 |