3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione

C12H14N2O3 — CID 3029660

IUPAC3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCCc1ccc(CCN2C(=O)COC2=O)nc1
InChIInChI=1S/C12H14N2O3/c1-2-9-3-4-10(13-7-9)5-6-14-11(15)8-17-12(14)16/h3-4,7H,2,5-6,8H2,1H3
InChIKeyKWLOOGBLVVBAQP-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.17
Rot. Bonds4

About 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione

3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 3029660) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID3029660
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCCc1ccc(CCN2C(=O)COC2=O)nc1
InChIInChI=1S/C12H14N2O3/c1-2-9-3-4-10(13-7-9)5-6-14-11(15)8-17-12(14)16/h3-4,7H,2,5-6,8H2,1H3
InChIKeyKWLOOGBLVVBAQP-UHFFFAOYSA-N
XLogP1.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione (CID 3029660) is 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione is CCc1ccc(CCN2C(=O)COC2=O)nc1.
What is the InChIKey of 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KWLOOGBLVVBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-9-3-4-10(13-7-9)5-6-14-11(15)8-17-12(14)16/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione?
3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethyl-2-pyridinyl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).