3-(2-Chloro-6-fluorobenzyl)-5-(4-propylphenyl)-1,2,4-oxadiazole
Basic information
- CAS
6136-52-3- Standard SMILES
CCCc1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1- InChIKey
GUBYJZHEUNEGIJ-UHFFFAOYSA-N- Molecular formula
- C18H16ClFN2O
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.093519
Names & identifiers
- Preferred name
- 3-(2-Chloro-6-fluorobenzyl)-5-(4-propylphenyl)-1,2,4-oxadiazole
- IUPAC
- 3-[(2-chloro-6-fluorophenyl)methyl]-5-(4-propylphenyl)-1,2,4-oxadiazole
Names & synonyms
6136-52-33-(2-chloro-6-fluorobenzyl)-5-(4-propylphenyl)-1,2,4-oxadiazole3-[(2-chloro-6-fluorophenyl)methyl]-5-(4-propylphenyl)-1,2,4-oxadiazoleCBMicro_007720Oprea1_375911DTXSID80358031SMSF0014814STK093682AKOS005395365CB10548BIM-0007968.P001
Database identifiers
- CAS
6136-52-3- PubChem CID
- 874797
- DTXSID
DTXSID80358031
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…