Basic information
- CAS
725234-32-2- Standard SMILES
O=[N+]([O-])c1ccc(-c2noc(-c3ccno3)n2)o1- InChIKey
VSZVAGCJFVDCKZ-UHFFFAOYSA-N- Molecular formula
- C9H4N4O5
- Average molar mass
- 248.15 g/mol
- Monoisotopic mass
- 248.01816924
Names & identifiers
- Preferred name
- 5-(5-Isoxazolyl)-3-(5-nitro-2-furanyl)-1,2,4-oxadiazole
- IUPAC
- 3-(5-nitrofuran-2-yl)-5-(1,2-oxazol-5-yl)-1,2,4-oxadiazole
Names & synonyms
725234-32-25-(5-Isoxazolyl)-3-(5-nitro-2-furanyl)-1,2,4-oxadiazoleRefChem:3001395-Isoxazol-5-yl-3-(5-nitrofuran-2-yl) -[1,2,4]oxadiazoleBio6C5DTXSID1012065873-(5-nitrofuran-2-yl)-5-(1,2-oxazol-5-yl)-1,2,4-oxadiazoleCCG-51016SR-01000640346-1
Database identifiers
- CAS
725234-32-2- PubChem CID
- 2727316
- DTXSID
DTXSID101206587
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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