3-Benzoyl-5-propionylisoxazole
Basic information
- Standard SMILES
CCC(=O)c1cc(C(=O)c2ccccc2)no1- InChIKey
TZYYBYKWEAZBGO-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 3-Benzoyl-5-propionylisoxazole
- IUPAC
- 1-(3-benzoyl-1,2-oxazol-5-yl)propan-1-one
Names & synonyms
3-benzoyl-5-propionylisoxazoleSCHEMBL8881064TZYYBYKWEAZBGO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19976947
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
7 records
Compound notes
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