(2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one

C6H11NO2 — CID 55286470

IUPAC(2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one
SMILESCC[C@@H]1NC(=O)[C@H](C)O1
InChIInChI=1S/C6H11NO2/c1-3-5-7-6(8)4(2)9-5/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyMALYEHCLBYHMPV-CRCLSJGQSA-N
MW129.16 g/mol
LogP0.26
Rot. Bonds1

About (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one

(2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one (PubChem CID 55286470) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one
PubChem CID55286470
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one
SMILESCC[C@@H]1NC(=O)[C@H](C)O1
InChIInChI=1S/C6H11NO2/c1-3-5-7-6(8)4(2)9-5/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyMALYEHCLBYHMPV-CRCLSJGQSA-N
XLogP0.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-2-ethyl-5-methyl-1,3-oxazolidin-4-one
CID 55286471
(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione
CID 93499117
(3R,4aR,7S,8R)-7,8-dihydroxy-6-(hydroxymethyl)-3-methyl-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
CID 160549941
(5R)-5-ethyl-2,4-dimethyloxolan-3-one
CID 59796353
(3R,6R)-3-ethyl-6-methylpiperidin-2-one
CID 122155636
(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 641518
(4R,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 11147728
ethane;5-ethyl-1,3-diazinane-2,4,6-trione
CID 142836832
6,6-difluoro-2,5-dimethylmorpholin-3-one
CID 170015746
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one?
The IUPAC name of (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one (CID 55286470) is (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one?
The canonical SMILES for (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one is CC[C@@H]1NC(=O)[C@H](C)O1.
What is the InChIKey of (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one?
The InChIKey is MALYEHCLBYHMPV-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5-7-6(8)4(2)9-5/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1.
What are the key properties of (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one?
(2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one has a molecular weight of 129.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 55286470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).