2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate

C13H19N3O5 — CID 10637734

IUPAC2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate
SMILESCC(=O)OCCN1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C
InChIInChI=1S/C13H19N3O5/c1-8-7-15(13(19)14-12(8)18)11-6-9(2)16(21-11)4-5-20-10(3)17/h7,9,11H,4-6H2,1-3H3,(H,14,18,19)/t9-,11+/m1/s1
InChIKeyACOIUMFDWJEAJY-KOLCDFICSA-N
MW297.31 g/mol
LogP-0.07
Rot. Bonds4

About 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate

2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate (PubChem CID 10637734) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate
PubChem CID10637734
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate
SMILESCC(=O)OCCN1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C
InChIInChI=1S/C13H19N3O5/c1-8-7-15(13(19)14-12(8)18)11-6-9(2)16(21-11)4-5-20-10(3)17/h7,9,11H,4-6H2,1-3H3,(H,14,18,19)/t9-,11+/m1/s1
InChIKeyACOIUMFDWJEAJY-KOLCDFICSA-N
XLogP-0.07
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate with MolForge

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Related Compounds

[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14188749
[(3S)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70812678
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 26236818
1-[2-(2-hydroxyethyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
CID 10562076
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011
5-methyl-1-[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]pyrimidine-2,4-dione
CID 52944921
1-[(2R,4S,5R)-5-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333771
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylsulfanylethyl carbonate
CID 162427207
[5-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 171653515
[(2S,5S)-3-acetyloxy-4-bromo-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 57495094
[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 90424481

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate?
The IUPAC name of 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate (CID 10637734) is 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate.
What is the SMILES notation for 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate?
The canonical SMILES for 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate is CC(=O)OCCN1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C.
What is the InChIKey of 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate?
The InChIKey is ACOIUMFDWJEAJY-KOLCDFICSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-8-7-15(13(19)14-12(8)18)11-6-9(2)16(21-11)4-5-20-10(3)17/h7,9,11H,4-6H2,1-3H3,(H,14,18,19)/t9-,11+/m1/s1.
What are the key properties of 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate?
2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate has a molecular weight of 297.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-2-yl]ethyl acetate is sourced from PubChem (CID 10637734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).