Basic information
- CAS
22816-03-1- Standard SMILES
COC(=O)c1ccc(-c2nnco2)cc1- InChIKey
FKUAJCIRULEXLN-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- Methyl 4-(1,3,4-oxadiazol-2-yl)benzoate
- IUPAC
- methyl 4-(1,3,4-oxadiazol-2-yl)benzoate
Names & synonyms
methyl 4-(1,3,4-oxadiazol-2-yl)benzoate22816-03-1RefChem:355301Maybridge3_007224SCHEMBL22312193DTXSID801279634HMS1451I08CCG-52866AKOS017271414IDI1_018611SR-01000642071-1
Database identifiers
- CAS
22816-03-1- PubChem CID
- 2744540
- DTXSID
DTXSID801279634
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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