Basic information
- Standard SMILES
CCCc1c(-c2nc(-c3ccc(CCO)cc3)no2)noc1-c1ccccc1- InChIKey
DPKMFDZDZRKFAQ-UHFFFAOYSA-N- Molecular formula
- C22H21N3O3
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-(5-(5-Phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethanol
- IUPAC
- 2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
Names & synonyms
SCHEMBL1227204DPKMFDZDZRKFAQ-UHFFFAOYSA-N2-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethanol
Database identifiers
- PubChem CID
- 58374091
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 466
Related reactions
3 records
Compound notes
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