Basic information
- CAS
89612-29-3- Standard SMILES
COc1cc(C)cc(C)c1-c1noc(C(C)C)n1- InChIKey
NAFMDZZASZSLAO-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- 3-(2-Methoxy-4,6-dimethylphenyl)-5-(propan-2-yl)-1,2,4-oxadiazole
- IUPAC
- 3-(2-methoxy-4,6-dimethylphenyl)-5-propan-2-yl-1,2,4-oxadiazole
Names & synonyms
89612-29-3DTXSID605309793-(2-Methoxy-4,6-dimethylphenyl)-5-(propan-2-yl)-1,2,4-oxadiazole
Database identifiers
- CAS
89612-29-3- PubChem CID
- 13237471
- DTXSID
DTXSID60530979
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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