4-Isoxazolecarboxamide, 3-methyl-5-(5-nitro-2-furyl)-
Basic information
- CAS
22997-01-9- Standard SMILES
Cc1noc(-c2ccc([N+](=O)[O-])o2)c1C(N)=O- InChIKey
OQSNAWISKJQTCH-UHFFFAOYSA-N- Molecular formula
- C9H7N3O5
- Average molar mass
- 237.17 g/mol
- Monoisotopic mass
- 237.03857033
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxamide, 3-methyl-5-(5-nitro-2-furyl)-
- IUPAC
- 3-methyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Names & synonyms
22997-01-94-ISOXAZOLECARBOXAMIDE, 3-METHYL-5-(5-NITRO-2-FURYL)-3-methyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide3-Methyl-5-(5-nitro-2-furyl)-4-isoxazolecarboxamideDTXSID10177550
Database identifiers
- CAS
22997-01-9- PubChem CID
- 31606
- DTXSID
DTXSID10177550
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…