Basic information
- CAS
21787-26-8- Standard SMILES
Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(N)=O- InChIKey
LNMBWRIBIWPSRZ-UHFFFAOYSA-N- Molecular formula
- C9H7N3O5
- Average molar mass
- 237.17 g/mol
- Monoisotopic mass
- 237.03857033
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxamide, 5-methyl-3-(5-nitro-2-furyl)-
- IUPAC
- 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Names & synonyms
4-ISOXAZOLECARBOXAMIDE, 5-METHYL-3-(5-NITRO-2-FURYL)-21787-26-85-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxamide5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamideDTXSID80176191
Database identifiers
- CAS
21787-26-8- PubChem CID
- 30804
- DTXSID
DTXSID80176191
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
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