3-(4-Chlorophenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
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Basic information
- CAS
723740-34-9- Standard SMILES
Clc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1- InChIKey
KOSUUJNKQCCUBR-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
- IUPAC
- 3-(4-chlorophenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
- English name
- 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl phenyl ether
- Molecular formula
- C17H15ClN2O2
- Molecular weight
- 314.77
Names & synonyms
3-(4-chlorophenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazoleSMR000149451MLS000559135CHEMBL1433421HMS2445G093-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl phenyl etherSTK791550AKOS001048848AO-081/42190164Z569538643-(4-Chloro-phenyl)-5-(3-phenoxy-propyl)-[1,2,4]oxadiazole1,2,4-Oxadiazole, 3-(4-chlorophenyl)-5-(3-phenoxypropyl)-
Database identifiers
- CAS
723740-34-9- PubChem CID
- 1815806
- ChEMBL
CHEMBL1433421
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 478.9 · 478.9±55.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- -0.83 · -0.83±0.37(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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