| Sonrisas canónicas | C1=C(ONC1=O)N |
|---|---|
| IUPAC Name | 5-amino-1,2-oxazol-3-one |
| InChIKey | SBAQXOKGHJGIGF-UHFFFAOYSA-N |
| INCHI | 1S/C3H4N2O2/c4-2-1-3(6)5-7-2/h1H,4H2,(H,5,6) |
| Isómeros SMILES | C1=C(ONC1=O)N |
| PubChem CID | 246219 |
| Peso molecular | 100.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Isoxazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoxazoles |
| Alternative Parents | Vinylogous amides Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Isoxazole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively. |
| External Descriptors | Not available |
| Peso molecular | 100.080 g/mol |
|---|---|
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 100.027 Da |
| Monoisotopic Mass | 100.027 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 129.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
