3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione

C13H15NO3 — CID 5325161

IUPAC3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione
SMILESCCc1cccc(CC)c1N1C(=O)COC1=O
InChIInChI=1S/C13H15NO3/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-17-13(14)16/h5-7H,3-4,8H2,1-2H3
InChIKeyYQBQPFUOBQUHQW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.29
Rot. Bonds3

About 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione

3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 5325161) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID5325161
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione
SMILESCCc1cccc(CC)c1N1C(=O)COC1=O
InChIInChI=1S/C13H15NO3/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-17-13(14)16/h5-7H,3-4,8H2,1-2H3
InChIKeyYQBQPFUOBQUHQW-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione (CID 5325161) is 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione is CCc1cccc(CC)c1N1C(=O)COC1=O.
What is the InChIKey of 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is YQBQPFUOBQUHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-17-13(14)16/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione?
3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 5325161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).