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4-Benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one

HCID 18473012
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(CCCC(=O)N2C(=O)OCC2Cc2ccccc2)OCCO1
InChIKey
QXYJCDFZZWJCAX-UHFFFAOYSA-N
Molecular formula
C18H23NO5
Average molar mass
333.4 g/mol

Names & identifiers

Preferred name
4-Benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
IUPAC
4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL7678928

Database identifiers

PubChem CID
18473012

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
65.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
454

Related reactions

3 records
New reaction record
HRID 192052 reaction equation
HRID 192052As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 202028 reaction equation
HRID 202028As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 681990 reaction equation
HRID 681990As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes