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Benzyl 4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

HCID 53400837
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1C(=O)OC(c2ccccc2)N1C(=O)OCc1ccccc1
InChIKey
USPAXEIEXNCGOJ-UHFFFAOYSA-N
Molecular formula
C18H17NO4
Average molar mass
311.3 g/mol
Monoisotopic mass
311.11575802

Names & identifiers

Preferred name
Benzyl 4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
IUPAC
benzyl 4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

Names & synonyms

SCHEMBL502434USPAXEIEXNCGOJ-UHFFFAOYSA-Nbenzyl 4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylateSB40628DB-159829benzyl 4-methyl-5-oxo-2-phenyl-oxazolidine-3-carboxylatePhenylmethyl 4-methyl-5-oxo-2-phenyl-3-oxazolidinecarboxylate1021735-01-2

Database identifiers

PubChem CID
53400837

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
427

Related reactions

3 records
New reaction record
HRID 425419 reaction equation
HRID 425419As productuspto-grants-2012_01
HRID 1881504 reaction equation
HRID 1881504As productuspto-grants-2012_11
HRID 2157033 reaction equation
HRID 2157033As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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