Basic information
- CAS
64908-12-9- Standard SMILES
Cn1c(-c2ccncc2)noc1=O- InChIKey
JTTXNQWJNRMNPF-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 4-Methyl-3-(pyridin-4-yl)-1,2,4-oxadiazol-5(4H)-one
- IUPAC
- 4-methyl-3-pyridin-4-yl-1,2,4-oxadiazol-5-one
Names & synonyms
64908-12-94-Methyl-3-(pyridin-4-yl)-1,2,4-oxadiazol-5(4H)-oneDTXSID30494776
Database identifiers
- CAS
64908-12-9- PubChem CID
- 12370184
- DTXSID
DTXSID30494776
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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