(5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane

C13H25NO4 — CID 157431674

IUPAC(5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane
SMILESCC.CC1C[C@H](C)OC1=O.C[C@H]1CN(C)C(=O)O1
InChIInChI=1S/C6H10O2.C5H9NO2.C2H6/c1-4-3-5(2)8-6(4)7;1-4-3-6(2)5(7)8-4;1-2/h4-5H,3H2,1-2H3;4H,3H2,1-2H3;1-2H3/t4?,5-;4-;/m00./s1
InChIKeyBQPPLCNNFIYFJP-WXEXBYDMSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds

About (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane

(5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane (PubChem CID 157431674) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane
PubChem CID157431674
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name(5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane
SMILESCC.CC1C[C@H](C)OC1=O.C[C@H]1CN(C)C(=O)O1
InChIInChI=1S/C6H10O2.C5H9NO2.C2H6/c1-4-3-5(2)8-6(4)7;1-4-3-6(2)5(7)8-4;1-2/h4-5H,3H2,1-2H3;4H,3H2,1-2H3;1-2H3/t4?,5-;4-;/m00./s1
InChIKeyBQPPLCNNFIYFJP-WXEXBYDMSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane with MolForge

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Related Compounds

(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
CID 11138067
(5R)-5-hydroxy-3-methyl-1,3-oxazolidin-2-one
CID 70341446
(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
CID 154029551
5-hydroxy-3-methyl-1,3-oxazolidin-2-one
CID 67762404
ethane;3-methyl-5-(methylamino)-1,3-oxazolidin-2-one
CID 144507727
5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one
CID 143282837
5-cyclopropyl-3-methyloxolan-2-one
CID 154096657
(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
CID 10877260
4,6-dimethyl-2-nitrosomorpholin-3-one
CID 54568604
(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67918701
5-hydroxy-3-methyloxolan-2-one
CID 12794198

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane?
The IUPAC name of (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane (CID 157431674) is (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane.
What is the SMILES notation for (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane?
The canonical SMILES for (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane is CC.CC1C[C@H](C)OC1=O.C[C@H]1CN(C)C(=O)O1.
What is the InChIKey of (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane?
The InChIKey is BQPPLCNNFIYFJP-WXEXBYDMSA-N. The full InChI is InChI=1S/C6H10O2.C5H9NO2.C2H6/c1-4-3-5(2)8-6(4)7;1-4-3-6(2)5(7)8-4;1-2/h4-5H,3H2,1-2H3;4H,3H2,1-2H3;1-2H3/t4?,5-;4-;/m00./s1.
What are the key properties of (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane?
(5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane has a molecular weight of 259.35 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane is sourced from PubChem (CID 157431674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).