4-isopropyl-N,3-dimethyl-5-oxo-N-phenethylisoxazole-2(5H)-carboxamide
Basic information
- CAS
706803-81-8- Standard SMILES
Cc1c(C(C)C)c(=O)on1C(=O)N(C)CCc1ccccc1- InChIKey
BVFZHOCJRHPZQA-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
Names & identifiers
- Preferred name
- 4-isopropyl-N,3-dimethyl-5-oxo-N-phenethylisoxazole-2(5H)-carboxamide
- IUPAC
- N,3-dimethyl-5-oxo-N-(2-phenylethyl)-4-propan-2-yl-1,2-oxazole-2-carboxamide
- English name
- 2(5H)-Isoxazolecarboxamide, N,3-dimethyl-4-(1-methylethyl)-5-oxo-N-(2-phenylethyl)-
- Molecular formula
- C17H22N2O3
- Molecular weight
- 302.37
Names & synonyms
CHEMBL317242BDBM501472944-isopropyl-N,3-dimethyl-5-oxo-N-phenethylisoxazole-2(5H)-carboxamide4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxylic acid methyl-phenethyl-amide2(5H)-Isoxazolecarboxamide, N,3-dimethyl-4-(1-methylethyl)-5-oxo-N-(2-phenylethyl)-
Database identifiers
- CAS
706803-81-8- ChEMBL
CHEMBL317242
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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