1-[4,5-Bis(4-methylphenyl)oxazol-2-yl)butan-1,4-dione

HCID 18367347
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Basic information

Standard SMILES
Cc1ccc(-c2nc(C(=O)CCC=O)oc2-c2ccc(C)cc2)cc1
InChIKey
FCAXRMWATGUNBT-UHFFFAOYSA-N
Molecular formula
C21H19NO3
Average molar mass
333.4 g/mol

Names & identifiers

Preferred name
1-[4,5-Bis(4-methylphenyl)oxazol-2-yl)butan-1,4-dione
IUPAC
4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]-4-oxobutanal

Names & synonyms

SCHEMBL7494599FCAXRMWATGUNBT-UHFFFAOYSA-N1-[4,5-bis(4-methylphenyl)oxazol-2-yl)butan-1,4-dione

Database identifiers

PubChem CID
18367347

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
60.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
25

Related reactions

6 records
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Compound notes

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