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4-Methyl-3-(4-methyloctanoyl)-5-phenyl-1,3-oxazolidin-2-one (HCID 21888293)|Huagongshe
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Compound
4-Methyl-3-(4-methyloctanoyl)-5-phenyl-1,3-oxazolidin-2-one
HCID
21888293
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCC(C)CCC(=O)N1C(=O)OC(c2ccccc2)C1C
InChIKey
QPCLKICBIFGGNH-UHFFFAOYSA-N
Molecular formula
C19H27NO3
Average molar mass
317.4 g/mol
Names & identifiers
Preferred name
4-Methyl-3-(4-methyloctanoyl)-5-phenyl-1,3-oxazolidin-2-one
IUPAC
4-methyl-3-(4-methyloctanoyl)-5-phenyl-1,3-oxazolidin-2-one
Database identifiers
PubChem CID
21888293
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
23
Formal charge
0
Complexity
403
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
301753
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1206616
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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