Basic information
- Standard SMILES
CC(C)COc1ncc(-c2nc(-c3ccc(C(=O)O)c(F)c3)no2)cc1Cl- InChIKey
XTOASNJELPFKEI-UHFFFAOYSA-N- Molecular formula
- C18H15ClFN3O4
- Average molar mass
- 391.8 g/mol
- Monoisotopic mass
- 391.0735118
Names & identifiers
- Preferred name
- 4-[5-(5-Chloro-6-isobutoxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
- IUPAC
- 4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
Names & synonyms
SCHEMBL2787545XTOASNJELPFKEI-UHFFFAOYSA-N4-[5-(5-chloro-6-isobutoxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
Database identifiers
- PubChem CID
- 25256380
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
Loading…