Basic information
- Standard SMILES
Cc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1C- InChIKey
CMCWWVXMSDAAEZ-UHFFFAOYSA-N- Molecular formula
- C18H15N3O
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.12151211
Names & identifiers
- Preferred name
- 4-[2-(2,3-Dimethyl-phenylamino)-oxazol-5-yl]-benzonitrile
- IUPAC
- 4-[2-(2,3-dimethylanilino)-1,3-oxazol-5-yl]benzonitrile
Names & synonyms
SCHEMBL2925824CMCWWVXMSDAAEZ-UHFFFAOYSA-N4-[2-(2,3-Dimethyl-phenylamino)-oxazol-5-yl]-benzonitrile
Database identifiers
- PubChem CID
- 24871997
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Related reactions
1 records
Compound notes
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