Basic information
- CAS
86435-56-5- Standard SMILES
Cc1ccc(C2=NC(C)(CCC#N)C(=O)O2)cc1- InChIKey
ORMHNBGHJQAXNL-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 4-Oxazolepropanenitrile, 4,5-dihydro-4-methyl-2-(4-methylphenyl)-5-oxo-
- IUPAC
- 3-[4-methyl-2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-yl]propanenitrile
- English name
- 4-Oxazolepropanenitrile, 4,5-dihydro-4-methyl-2-(4-methylphenyl)-5-oxo-
- Molecular formula
- C14H14N2O2
- Molecular weight
- 0
Names & synonyms
86435-56-54-Oxazolepropanenitrile, 4,5-dihydro-4-methyl-2-(4-methylphenyl)-5-oxo-DB-283808
Database identifiers
- CAS
86435-56-5- PubChem CID
- 13177922
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 413
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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