5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole
Basic information
- CAS
21959-57-9- Standard SMILES
Nc1nc(C=Cc2ccc([N+](=O)[O-])o2)no1- InChIKey
RMZNNIOKNRDECR-UHFFFAOYSA-N- Molecular formula
- C8H6N4O4
- Average molar mass
- 222.16 g/mol
- Monoisotopic mass
- 222.03890469
Names & identifiers
- Preferred name
- 5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole
- IUPAC
- 3-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
Names & synonyms
3-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine21959-57-95-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazoleBRN 1079486S 18506SCHEMBL78546031,2,4-Oxadiazole, 5-amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-Oxadiazol-5-amine, 3-(2-(5-nitro-2-furanyl)ethenyl)-
Database identifiers
- CAS
21959-57-9- PubChem CID
- 34318
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
LogP1.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…