Basic information
- CAS
5686-39-5- Standard SMILES
COc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1- InChIKey
MUSBUMYFUKWHPY-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O3
- Average molar mass
- 316.74 g/mol
- Monoisotopic mass
- 316.06147
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
- IUPAC
- 3-(2-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
Names & synonyms
3-(2-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole5686-39-53-(2-chlorophenyl)-5-((4-methoxyphenoxy)methyl)-1,2,4-oxadiazoleOprea1_294870DTXSID20357785STK115375AKOS000641271CCG-112298SR-01000496684SR-01000496684-1
Database identifiers
- CAS
5686-39-5- PubChem CID
- 868044
- DTXSID
DTXSID20357785
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…