4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one

HCID 4050249

Notes Reactions

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Basic information

Standard SMILES: CCC(=O)N1C(=O)OCC1Cc1ccccc1
InChIKey: WHOBYFHKONUTMW-UHFFFAOYSA-N
Molecular formula: C13H15NO3
Average molar mass: 233.26 g/mol

Names & identifiers

Preferred name: 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
IUPAC: 4-benzyl-3-propanoyl-1,3-oxazolidin-2-one

Names & synonyms

4-benzyl-3-propanoyl-1,3-oxazolidin-2-one(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinoneSCHEMBL237076benzyl-N-propionyl-2-oxazolidinoneAKOS0252435034-benzyl-3-propanoyl-oxazolidin-2-oneFS-2180PB47878InChI=1/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H

Database identifiers

PubChem CID: 4050249
Nikkaji: J2.126.969G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 297

Related reactions

13 records

New reaction record

HRID 88918As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 170142As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 289445As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 663077As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 668255As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 686249As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1203310As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1216596As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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