Basic information
- Standard SMILES
COc1ccccc1-c1nnc(-c2c(-c3ccccc3)noc2C2CC2)o1- InChIKey
IGLWSWMLYGHMRI-UHFFFAOYSA-N- Molecular formula
- C21H17N3O3
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.12699141
Names & identifiers
- Preferred name
- 2-(5-Cyclopropyl-3-phenyl-isoxazol-4-yl)-5-(2-methoxy-phenyl)-[1,3,4]oxadiazole
- IUPAC
- 2-(5-cyclopropyl-3-phenyl-1,2-oxazol-4-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
Names & synonyms
SCHEMBL1930234IGLWSWMLYGHMRI-UHFFFAOYSA-N2-(5-Cyclopropyl-3-phenyl-isoxazol-4-yl)-5-(2-methoxy-phenyl)-[1,3,4]oxadiazole
Database identifiers
- PubChem CID
- 16722907
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
2 records
Compound notes
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