5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
Basic information
- CAS
352346-36-2- Standard SMILES
C(=C\c1nc(-c2cccnc2)no1)/c1ccccc1- InChIKey
YBWXOJJHLJGREL-CMDGGOBGSA-N- Molecular formula
- C15H11N3O
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.09021198
Names & identifiers
- Preferred name
- 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
- IUPAC
- 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
Names & synonyms
5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole352346-36-23-{5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl}pyridineMLS-0280140.0002MLS000706743CHEMBL1365469BDBM84018cid_5348455DTXSID601320530HMS2717E19SMSF0014876STK323390
Show more names
AKOS000645801CB10783SMR000288195BIM-0007973.P001ST50029057AG-670/14592013SR-01000503968(E)-3-(pyridin-3-yl)-5-styryl-1,2,4-oxadiazole
Database identifiers
- CAS
352346-36-2- PubChem CID
- 5348455
- DTXSID
DTXSID601320530- ChEMBL
CHEMBL1365469
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Solubility3.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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