4-[5-(3-Methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine
Basic information
- CAS
432019-96-0- Standard SMILES
Cc1cc(-c2nc(-c3ccncc3)no2)ccc1[N+](=O)[O-]- InChIKey
DEYBTNFSJSEGOJ-UHFFFAOYSA-N- Molecular formula
- C14H10N4O3
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.07529019
Names & identifiers
- Preferred name
- 4-[5-(3-Methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine
- IUPAC
- 5-(3-methyl-4-nitrophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
Names & synonyms
4-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine432019-96-05-(3-methyl-4-nitrophenyl)-3-pyridin-4-yl-1,2,4-oxadiazoleCambridge id 6748146Oprea1_854481MLS001196393CHEMBL1299972DTXSID701319922HMS2859K12STK321253AKOS001667853SMR000556299
Show more names
SR-01000503999SR-01000503999-15-(3-methyl-4-nitrophenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole
Database identifiers
- CAS
432019-96-0- PubChem CID
- 948622
- DTXSID
DTXSID701319922- ChEMBL
CHEMBL1299972
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Experimental & physicochemical properties
Solubility1.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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