| Sonrisas canónicas | COCC1=NC(=NO1)N |
|---|---|
| IUPAC Name | 5-(methoxymethyl)-1,2,4-oxadiazol-3-amine |
| InChIKey | OOUORMCQSPGAQB-UHFFFAOYSA-N |
| INCHI | 1S/C4H7N3O2/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3,(H2,5,7) |
| Isómeros SMILES | COCC1=NC(=NO1)N |
| PubChem CID | 51000339 |
| Peso molecular | 129.12 |
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 | Oxadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2,4-oxadiazoles |
| Alternative Parents | Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - 1,2,4-oxadiazole - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,2,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 2, and 4, respectively. |
| External Descriptors | Not available |
| Peso molecular | 129.120 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 129.054 Da |
| Monoisotopic Mass | 129.054 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 89.900 |
| 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 |
