3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile

C14H16N2O4 — CID 47160324

IUPAC3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCCN1CCOC1=O
InChIInChI=1S/C14H16N2O4/c1-2-18-13-9-11(10-15)3-4-12(13)19-7-5-16-6-8-20-14(16)17/h3-4,9H,2,5-8H2,1H3
InChIKeyQTKYTQLEWWULAE-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.79
Rot. Bonds6

About 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile

3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile (PubChem CID 47160324) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile
PubChem CID47160324
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCCN1CCOC1=O
InChIInChI=1S/C14H16N2O4/c1-2-18-13-9-11(10-15)3-4-12(13)19-7-5-16-6-8-20-14(16)17/h3-4,9H,2,5-8H2,1H3
InChIKeyQTKYTQLEWWULAE-UHFFFAOYSA-N
XLogP1.79
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile?
The IUPAC name of 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile (CID 47160324) is 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile?
The canonical SMILES for 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile is CCOc1cc(C#N)ccc1OCCN1CCOC1=O.
What is the InChIKey of 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile?
The InChIKey is QTKYTQLEWWULAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-18-13-9-11(10-15)3-4-12(13)19-7-5-16-6-8-20-14(16)17/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile?
3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile has a molecular weight of 276.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile is sourced from PubChem (CID 47160324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).