Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 7-phenyl-, 6-oxide
Completing data — refresh the page later to see the latest
Basic information
- CAS
165611-04-1- Standard SMILES
NC(=O)c1noc2c(-c3ccccc3)[n+]([O-])cnc12- InChIKey
FZKFKOYCTUYKFC-UHFFFAOYSA-N- Molecular formula
- C12H8N4O3
- Average molar mass
- 256.22 g/mol
- Monoisotopic mass
- 256.05964013
Names & identifiers
- Preferred name
- Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 7-phenyl-, 6-oxide
- IUPAC
- 6-oxido-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-ium-3-carboxamide
- English name
- 3-Carbamido-7-phenylisoxazolo(4,5-d)pyrimidine 6-N-oxide
- Molecular formula
- C12H8N4O3
- Molecular weight
- 256.22
Names & synonyms
165611-04-1Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 7-phenyl-, 6-oxide7-Phenylisoxazolo(4,5-d)pyrimidine-3-carboxamide 6-oxide3-Carbamido-7-phenylisoxazolo(4,5-d)pyrimidine 6-N-oxideDTXSID10167996RefChem:350304DTXCID80904876-oxido-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-ium-3-carboxamide6-Oxo-7-phenyl-6lambda~5~-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamideIsoxazolo[4,5-d]pyrimidine-3-carboxamide, 7-phenyl-, 6-oxide
Database identifiers
- CAS
165611-04-1- PubChem CID
- 3074869
- DTXSID
DTXSID10167996- Nikkaji
- J647.833F
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 646.6 · 646.6±65.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 12.86 · 12.86±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…