Basic information
- Standard SMILES
CC(=O)OC(C#N)CCc1ccc(C(=O)CCc2nc(-c3ccccc3)oc2C)cc1- InChIKey
VSAMZKAIEBWOJX-UHFFFAOYSA-N- Molecular formula
- C25H24N2O4
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- 2-Acetoxy-4-[4-[3-(5-methyl-2-phenyl-4-oxazolyl)propionyl]phenyl]butyronitrile
- IUPAC
- [1-cyano-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propyl] acetate
Names & synonyms
SCHEMBL7481609VSAMZKAIEBWOJX-UHFFFAOYSA-N2-acetoxy-4-[4-[3-(5-methyl- 2-phenyl-4-oxazolyl)propionyl]phenyl]butyronitrile2-acetoxy-4-[4-[3-(5-methyl-2-phenyl-4-oxazolyl)propionyl]phenyl]butyronitrile
Database identifiers
- PubChem CID
- 19965643
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 643
Related reactions
3 records
Compound notes
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