4-Isoxazolecarboxamide, 5-amino-N-cyclobutyl-3-(3-pyridinyl)-
Basic information
- CAS
498053-00-2- Standard SMILES
Nc1onc(-c2cccnc2)c1C(=O)NC1CCC1- InChIKey
KWCYXSFIEZGWRE-UHFFFAOYSA-N- Molecular formula
- C13H14N4O2
- Average molar mass
- 258.28 g/mol
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxamide, 5-amino-N-cyclobutyl-3-(3-pyridinyl)-
- IUPAC
- 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
- English name
- 4-Isoxazolecarboxamide,5-amino-N-cyclobutyl-3-(3-pyridinyl)-(9CI)
- Molecular formula
- C13H14N4O2
- Molecular weight
- 258.28
Names & synonyms
SCHEMBL6316388498053-00-2DB-2726104-ISOXAZOLECARBOXAMIDE, 5-AMINO-N-CYCLOBUTYL-3-(3-PYRIDINYL)-4-Isoxazolecarboxamide,5-amino-N-cyclobutyl-3-(3-pyridinyl)-(9CI)
Database identifiers
- CAS
498053-00-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 537.8 · 537.8±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 13.38 · 13.38±0.20(Predicted)
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Compound notes
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