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4-Benzyl-3-(4-methylpentanoyl)oxazolidin-2-one

HCID 4712704
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CCC(=O)N1C(=O)OCC1Cc1ccccc1
InChIKey
YYUTVRHBEQTSJS-UHFFFAOYSA-N
Molecular formula
C16H21NO3
Average molar mass
275.34 g/mol

Names & identifiers

Preferred name
4-Benzyl-3-(4-methylpentanoyl)oxazolidin-2-one
IUPAC
4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL292633DB-0129184-benzyl-3-(4-methylpentanoyl)oxazolidin-2-one3-(3'-Isopropyl-1-oxopropyl)-4(S)-(1-phenylmethyl)oxazolidin-2-one

Database identifiers

PubChem CID
4712704

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
348

Related reactions

2 records
New reaction record
HRID 826977 reaction equation
HRID 826977As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2318200 reaction equation
HRID 2318200As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes