Basic information
- CAS
109684-94-8- Standard SMILES
COc1nnc(-c2ccc(C#N)cc2)o1- InChIKey
PVLIPXBIWKNRFI-UHFFFAOYSA-N- Molecular formula
- C10H7N3O2
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.05382648
Names & identifiers
- Preferred name
- 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole
- IUPAC
- 4-(5-methoxy-1,3,4-oxadiazol-2-yl)benzonitrile
Names & synonyms
2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole109684-94-84-(5-methoxy-1,3,4-oxadiazol-2-yl)benzonitrileDTXSID70149016
Database identifiers
- CAS
109684-94-8- PubChem CID
- 145461
- DTXSID
DTXSID70149016
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…