3-(4-Methylphenyl)-5-butyrylisoxazole

HCID 19976953
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Basic information

Standard SMILES
CCCC(=O)c1cc(-c2ccc(C)cc2)no1
InChIKey
QKJPFQFAQMUQET-UHFFFAOYSA-N
Molecular formula
C14H15NO2
Average molar mass
229.27 g/mol

Names & identifiers

Preferred name
3-(4-Methylphenyl)-5-butyrylisoxazole
IUPAC
1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]butan-1-one

Names & synonyms

SCHEMBL8880916QKJPFQFAQMUQET-UHFFFAOYSA-N3-(4-Methylphenyl)-5-butyrylisoxazole

Database identifiers

PubChem CID
19976953

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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