| CAS Number | 39512-74-8 |
| Catalog Number | AG01A322(AGN-PC-03RXYO) |
| Chemical Name | 1,2,4-Oxadiazole-3-carboxamide |
| IUPAC Name | 1,2,4-oxadiazole-3-carboxamide |
| InChI | InChI=1S/C3H3N3O2/c4-2(7)3-5-1-8-6-3/h1H,(H2,4,7) |
| InChI Key | LTWSKQYBNYYNRN-UHFFFAOYSA-N |
| MDL Number | MFCD19208306 |
| Molecular Formula | C3H3N3O2 |
| Molecular Weight | 113.0748 |
| SMILES | NC(C1=NOC=N1)=O |
| Synonyms | 1,2,4-oxadiazole-3-carboxamide,
39512-74-8,
SCHEMBL892421,
1,2,4-oxadiazol-3-carboxamide,
ZINC84618602,
AKOS006365604,
MCULE-1562950642,
NE25034,
Z1532504548,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.076g/mol |
| Monoisotopic Mass | 113.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number