Basic information
- CAS
115070-63-8- Standard SMILES
COc1nn(-c2cccc(C)c2)c(=O)o1- InChIKey
SRBPLDPVHZWCSL-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914219
Names & identifiers
- Preferred name
- 5-Methoxy-3-(3-methylphenyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-methoxy-3-(3-methylphenyl)-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL6551186DTXSID401207508115070-63-85-Methoxy-3-(3-methylphenyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- CAS
115070-63-8- PubChem CID
- 85555087
- DTXSID
DTXSID401207508
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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