5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione

C7H11NO3 — CID 8280

💊View drug profile → paramethadione
IUPAC5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCCC1(C)OC(=O)N(C)C1=O
InChIInChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3
InChIKeyVQASKUSHBVDKGU-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds1

About 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione

5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 8280) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID8280
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCCC1(C)OC(=O)N(C)C1=O
InChIInChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3
InChIKeyVQASKUSHBVDKGU-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trimethadione
CID 5576
Ethadione
CID 10630
Sodium 5,5-diethyl-2-oxo-2,5-dihydro-1,3-oxazol-4-olate
CID 23713050
(5S)-5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 51380896
Ethyl-methyl-oxazolidinedione
CID 13892513
5,5-Diethyl-3-methyl-1,3-oxazolidine-2,4-dione
CID 59834711
2,4-Dioxo-N,N,N,5,5-pentamethyl-3-oxazolidinebutanaminium iodide
CID 11971969
3-Methyl-5-propan-2-yl-oxazolidine-2,4-dione
CID 231276
3-(Chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 14153699
3-(Bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 19688495
3-(3,3-Dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 21027147
CID 51380897
CID 51380897

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 8280) is 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione is CCC1(C)OC(=O)N(C)C1=O.
What is the InChIKey of 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is VQASKUSHBVDKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3.
What are the key properties of 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 157.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 8280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).