Basic information
- CAS
60723-59-3- Standard SMILES
Cc1nnc(-c2coc3ccccc3c2=O)o1- InChIKey
UKLKBYTVYSXRQQ-UHFFFAOYSA-N- Molecular formula
- C12H8N2O3
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.05349212
Names & identifiers
- Preferred name
- 3-(5-Methyl-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one
- IUPAC
- 3-(5-methyl-1,3,4-oxadiazol-2-yl)chromen-4-one
Names & synonyms
60723-59-33-(5-Methyl-1,3,4-oxadiazol-2-yl)-4H-chromen-4-oneCHEMBL3278552DTXSID00490402AK-198/364170253-(5-Methyl-1,3,4-oxadiazol-2-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
60723-59-3- PubChem CID
- 12330010
- DTXSID
DTXSID00490402- ChEMBL
CHEMBL3278552
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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