3-(4-Chlorophenyl)-5-ethyl-1,2,4-oxadiazole
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Basic information
- CAS
196301-93-6- Standard SMILES
CCc1nc(-c2ccc(Cl)cc2)no1- InChIKey
PLPLVENHKIILDV-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0403406
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-ethyl-1,2,4-oxadiazole
- IUPAC
- 3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole
- English name
- 3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole
- Molecular formula
- C10H9ClN2O
- Molecular weight
- 208.64
Names & synonyms
3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole196301-93-6MFCD00121621Maybridge3_001093SCHEMBL201607SCHEMBL18040199SCHEMBL18040200DTXSID60384515PLPLVENHKIILDV-UHFFFAOYSA-NHMS1434B15AKOS015850278IDI1_012480
Show more names
1,2,4-Oxadiazole, 3-(4-chlorophenyl)-5-ethyl-
BS-27389DB-356445CS-02113823-(4-Chloro-phenyl)-5-ethyl-[1,2,4]oxadiazoleZ57792053
Database identifiers
- CAS
196301-93-6- PubChem CID
- 2806701
- DTXSID
DTXSID60384515- Nikkaji
- J1.859.713F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 30 · 30-32 °C
- Boiling point
- 322.6 · 322.6±44.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- -0.51 · -0.51±0.25(Predicted)
Related reactions
3 records
Compound notes
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