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

C10H16N2O3 — CID 7250117

IUPAC3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile
SMILESCC[C@@]1(C)OC(=O)N(CCC#N)[C@]1(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/t9-,10-/m1/s1
InChIKeyGAFYBIUOVSDPML-NXEZZACHSA-N
MW212.25 g/mol
LogP1.23
Rot. Bonds3

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

3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile (PubChem CID 7250117) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile
PubChem CID7250117
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile
SMILESCC[C@@]1(C)OC(=O)N(CCC#N)[C@]1(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/t9-,10-/m1/s1
InChIKeyGAFYBIUOVSDPML-NXEZZACHSA-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-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The IUPAC name of 3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile (CID 7250117) is 3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile.
What is the SMILES notation for 3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The canonical SMILES for 3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile is CC[C@@]1(C)OC(=O)N(CCC#N)[C@]1(C)O.
What is the InChIKey of 3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The InChIKey is GAFYBIUOVSDPML-NXEZZACHSA-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/t9-,10-/m1/s1.
What are the key properties of 3-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
3-[(4R,5R)-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-[(4R,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile is sourced from PubChem (CID 7250117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).