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

C10H16N2O3 — CID 7250119

IUPAC3-[(4S,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-ZJUUUORDSA-N
MW212.25 g/mol
LogP1.23
Rot. Bonds3

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

3-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile (PubChem CID 7250119) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile
PubChem CID7250119
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[(4S,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-ZJUUUORDSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 5133684
3-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
CID 4579034
3-(5-Ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
CID 4242901
4-Hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-propanenitrile
CID 5243626
Tert-butyl 3-(cyanomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 131455666
(4S,5S)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 684524
(4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 684525
(4R,5S)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 684526
3-Cyclopropyl-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
CID 5298195
(4R,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 6541256
3-[(4R)-4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]propanenitrile
CID 7013750
3-[(4S)-4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]propanenitrile
CID 7013751

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The IUPAC name of 3-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile (CID 7250119) is 3-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile.
What is the SMILES notation for 3-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The canonical SMILES for 3-[(4S,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-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
The InChIKey is GAFYBIUOVSDPML-ZJUUUORDSA-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-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile?
3-[(4S,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-[(4S,5R)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]propanenitrile is sourced from PubChem (CID 7250119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).