4,4-dibenzyl-1,3-oxazolidine-2,5-dione

C17H15NO3 — CID 54213931

IUPAC4,4-dibenzyl-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C17H15NO3/c19-15-17(18-16(20)21-15,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)
InChIKeyPXUYBBNQZKAPDV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.48
Rot. Bonds4

About 4,4-dibenzyl-1,3-oxazolidine-2,5-dione

4,4-dibenzyl-1,3-oxazolidine-2,5-dione (PubChem CID 54213931) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4,4-dibenzyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4,4-dibenzyl-1,3-oxazolidine-2,5-dione
PubChem CID54213931
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4,4-dibenzyl-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C17H15NO3/c19-15-17(18-16(20)21-15,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)
InChIKeyPXUYBBNQZKAPDV-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibenzyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4,4-dibenzyl-1,3-oxazolidine-2,5-dione (CID 54213931) is 4,4-dibenzyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4,4-dibenzyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4,4-dibenzyl-1,3-oxazolidine-2,5-dione is O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 4,4-dibenzyl-1,3-oxazolidine-2,5-dione?
The InChIKey is PXUYBBNQZKAPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-15-17(18-16(20)21-15,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20).
What are the key properties of 4,4-dibenzyl-1,3-oxazolidine-2,5-dione?
4,4-dibenzyl-1,3-oxazolidine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibenzyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 54213931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).