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

C13H15NO3 — CID 3029182

IUPAC4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione
SMILESCCC1(CC)C(=O)ON(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO3/c1-3-13(4-2)11(15)14(17-12(13)16)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyZSFHIMFHPQJIAE-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.30
Rot. Bonds3

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

4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione (PubChem CID 3029182) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione
PubChem CID3029182
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione
SMILESCCC1(CC)C(=O)ON(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO3/c1-3-13(4-2)11(15)14(17-12(13)16)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyZSFHIMFHPQJIAE-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.30
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 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione?
The IUPAC name of 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione (CID 3029182) is 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione is CCC1(CC)C(=O)ON(c2ccccc2)C1=O.
What is the InChIKey of 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione?
The InChIKey is ZSFHIMFHPQJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-13(4-2)11(15)14(17-12(13)16)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione?
4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione has a molecular weight of 233.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 3029182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).