4-Isoxazolecarboxamide, 5-(5-nitro-2-furyl)-N,N,3-trimethyl-
Basic information
- CAS
22997-03-1- Standard SMILES
Cc1noc(-c2ccc([N+](=O)[O-])o2)c1C(=O)N(C)C- InChIKey
ZBHQTVOHWAPNAD-UHFFFAOYSA-N- Molecular formula
- C11H11N3O5
- Average molar mass
- 265.22 g/mol
- Monoisotopic mass
- 265.06987046
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxamide, 5-(5-nitro-2-furyl)-N,N,3-trimethyl-
- IUPAC
- N,N,3-trimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Names & synonyms
4-ISOXAZOLECARBOXAMIDE, 5-(5-NITRO-2-FURYL)-N,N,3-TRIMETHYL-22997-03-15-(5-Nitro-2-furyl)-N,N,3-trimethyl-4-isoxazolecarboxamideDTXSID70177551N,N,3-trimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Database identifiers
- CAS
22997-03-1- PubChem CID
- 31607
- DTXSID
DTXSID70177551
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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