5-(Pyridin-2-yl)-1,3,4-oxadiazol-2(3H)-one
Basic information
- CAS
60838-24-6- Standard SMILES
O=c1[nH]nc(-c2ccccn2)o1- InChIKey
UVZMUJAAUABKNM-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.03817641
Names & identifiers
- Preferred name
- 5-(Pyridin-2-yl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-pyridin-2-yl-3H-1,3,4-oxadiazol-2-one
Names & synonyms
60838-24-6NSC2252465-(Pyridin-2-yl)-1,3,4-oxadiazol-2(3H)-oneCHEMBL561261SCHEMBL13984054SCHEMBL20025653DTXSID70310320AKOS013464219NSC-225246DB-1389425-(2-pyridyl)-3H-1,3,4-oxadiazol-2-one5-(2-Pyridinyl)-1,3,4-oxadiazol-2(3h)-one
Database identifiers
- CAS
60838-24-6- PubChem CID
- 312923
- DTXSID
DTXSID70310320- ChEMBL
CHEMBL561261
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
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Compound notes
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