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

C10H16N2O3 — CID 7250118

IUPAC3-[(4R,5S)-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+/m0/s1
InChIKeyGAFYBIUOVSDPML-VHSXEESVSA-N
MW212.25 g/mol
LogP1.23
Rot. Bonds3

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

3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile (PubChem CID 7250118) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile
PubChem CID7250118
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[(4R,5S)-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+/m0/s1
InChIKeyGAFYBIUOVSDPML-VHSXEESVSA-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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Related Compounds

CID 5133684
CID 5133684
CID 4579034
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CID 4242901
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CID 5243626
CID 5243626
CID 131455666
CID 131455666
CID 684524
CID 684524
CID 684525
CID 684525
CID 684526
CID 684526
CID 5298195
CID 5298195
CID 6541256
CID 6541256
CID 7013750
CID 7013750
CID 7013751
CID 7013751

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The IUPAC name of 3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile (CID 7250118) is 3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile.
What is the SMILES notation for 3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The canonical SMILES for 3-[(4R,5S)-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,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The InChIKey is GAFYBIUOVSDPML-VHSXEESVSA-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+/m0/s1.
What are the key properties of 3-[(4R,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
3-[(4R,5S)-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,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile is sourced from PubChem (CID 7250118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).