3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione

C16H13NO3 — CID 4109672

IUPAC3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione
SMILESO=C1OC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15-14(13-9-5-2-6-10-13)17(16(19)20-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyNXMGMVOZNAQZEE-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.91
Rot. Bonds3

About 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione

3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione (PubChem CID 4109672) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione
PubChem CID4109672
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione
SMILESO=C1OC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15-14(13-9-5-2-6-10-13)17(16(19)20-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyNXMGMVOZNAQZEE-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
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 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione (CID 4109672) is 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione is O=C1OC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione?
The InChIKey is NXMGMVOZNAQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15-14(13-9-5-2-6-10-13)17(16(19)20-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione?
3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione has a molecular weight of 267.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 4109672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).