4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-
Basic information
- CAS
21787-35-9- Standard SMILES
CNC(=O)c1c(C)noc1-c1ccc([N+](=O)[O-])o1- InChIKey
AMFMEUVOBYWBTB-UHFFFAOYSA-N- Molecular formula
- C10H9N3O5
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 251.0542204
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-
- IUPAC
- N,3-dimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
- English name
- N,3-Dimethyl-5-(5-nitro-2-furyl)-4-isoxazolecarboxamide
- Molecular formula
- C10H9N3O5
- Molecular weight
- 251.2
Names & synonyms
N,3-Dimethyl-5-(5-nitro-2-furyl)-4-isoxazolecarboxamide21787-35-94-ISOXAZOLECARBOXAMIDE, N,3-DIMETHYL-5-(5-NITRO-2-FURYL)-DTXSID60176194RefChem:293696DTXCID0098685N,3-dimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furanyl)-
Database identifiers
- CAS
21787-35-9- PubChem CID
- 30807
- DTXSID
DTXSID60176194- Nikkaji
- J94.656G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
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Compound notes
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