5-methyl-N-(5-nitrothiazol-2-yl)isoxazole-4-carboxamide
Basic information
- CAS
738531-66-3- Standard SMILES
Cc1oncc1C(=O)Nc1ncc([N+](=O)[O-])s1- InChIKey
JXUUSXUIHFMJGL-UHFFFAOYSA-N- Molecular formula
- C8H6N4O4S
- Average molar mass
- 254.23 g/mol
- Monoisotopic mass
- 254.01097586
Names & identifiers
- Preferred name
- 5-methyl-N-(5-nitrothiazol-2-yl)isoxazole-4-carboxamide
- IUPAC
- 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
- English name
- 4-Isoxazolecarboxamide,5-methyl-N-(5-nitro-2-thiazolyl)-(9CI)
- Molecular formula
- C8H6N4O4S
- Molecular weight
- 254.22
Names & synonyms
738531-66-35-methyl-N-(5-nitrothiazol-2-yl)isoxazole-4-carboxamideDB-2837664-ISOXAZOLECARBOXAMIDE, 5-METHYL-N-(5-NITRO-2-THIAZOLYL)-4-Isoxazolecarboxamide,5-methyl-N-(5-nitro-2-thiazolyl)-(9CI)
Database identifiers
- CAS
738531-66-3- PubChem CID
- 45086935
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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