3-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Basic information
- CAS
5906-01-4- Standard SMILES
Cc1ccc(-c2nc(-c3cccnc3)no2)cc1- InChIKey
FONOUOJTRFKLOG-UHFFFAOYSA-N- Molecular formula
- C14H11N3O
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.09021198
Names & identifiers
- Preferred name
- 3-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
- IUPAC
- 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
Names & synonyms
3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridineMLS000062084ZINC238210SMR0000703595906-01-4ZINC00238210Oprea1_332271Oprea1_8455825-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazolecid_763864CHEMBL1489045SCHEMBL20370632
Show more names
BDBM49283Cc1ccc(cc1)c1onc(n1)c1cccnc1DTXSID40974514HMS2345N05HMS5196A15CCG-33384MFCD00264566STK035945
Database identifiers
- CAS
5906-01-4- PubChem CID
- 763864
- DTXSID
DTXSID40974514- ChEMBL
CHEMBL1489045
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
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Compound notes
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