3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile

C10H16N2O3 — CID 4242901

IUPAC3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
SMILESCCC1(C)OC(=O)N(CCC#N)C1(C)O
InChIInChI=1S/C10H16N2O3/c1-4-9(2)10(3,14)12(7-5-6-11)8(13)15-9/h14H,4-5,7H2,1-3H3
InChIKeyGAFYBIUOVSDPML-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.23
Rot. Bonds3

About 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile

3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile (PubChem CID 4242901) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
PubChem CID4242901
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
SMILESCCC1(C)OC(=O)N(CCC#N)C1(C)O
InChIInChI=1S/C10H16N2O3/c1-4-9(2)10(3,14)12(7-5-6-11)8(13)15-9/h14H,4-5,7H2,1-3H3
InChIKeyGAFYBIUOVSDPML-UHFFFAOYSA-N
XLogP1.23
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile?
The IUPAC name of 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile (CID 4242901) is 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile.
What is the SMILES notation for 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile?
The canonical SMILES for 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile is CCC1(C)OC(=O)N(CCC#N)C1(C)O.
What is the InChIKey of 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile?
The InChIKey is GAFYBIUOVSDPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-9(2)10(3,14)12(7-5-6-11)8(13)15-9/h14H,4-5,7H2,1-3H3.
What are the key properties of 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile?
3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile has a molecular weight of 212.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile is sourced from PubChem (CID 4242901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).