2-Acetoxy-4-[4-[3-(5-methyl-2-phenyl-4-oxazolyl)propionyl]phenyl]butyronitrile

HCID 19965643

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

Related reactions

3 records

Compound notes

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