Basic information
- Standard SMILES
CCCc1c(C(=O)O)noc1-c1ccccn1- InChIKey
RTTSRQFXPYCBLJ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 4-Propyl-5-(pyridin-2-yl)isoxazole-3-carboxylic acid
- IUPAC
- 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid
Names & synonyms
SCHEMBL409026RTTSRQFXPYCBLJ-UHFFFAOYSA-N4-propyl-5-(pyridin-2-yl)isoxazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 58062829
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
1 records
Compound notes
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