3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione

C11H16N2O4 — CID 21040898

IUPAC3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione
SMILESCC1=CC(C2CC(CO)N(C)O2)C(=O)NC1=O
InChIInChI=1S/C11H16N2O4/c1-6-3-8(11(16)12-10(6)15)9-4-7(5-14)13(2)17-9/h3,7-9,14H,4-5H2,1-2H3,(H,12,15,16)
InChIKeyLWZXGJJAZXBQOS-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.80
Rot. Bonds2

About 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione

3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione (PubChem CID 21040898) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione
PubChem CID21040898
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione
SMILESCC1=CC(C2CC(CO)N(C)O2)C(=O)NC1=O
InChIInChI=1S/C11H16N2O4/c1-6-3-8(11(16)12-10(6)15)9-4-7(5-14)13(2)17-9/h3,7-9,14H,4-5H2,1-2H3,(H,12,15,16)
InChIKeyLWZXGJJAZXBQOS-UHFFFAOYSA-N
XLogP-0.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione
CID 58672709
3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 163695430
3-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 20716750
[hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid
CID 174040869
[(3R,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]methanol
CID 131042168
5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione
CID 24883911
1-[[(3S,5R)-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-3-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 102310039
bis(ethenyl) [(2R,3S,5R)-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)-2-(2,2,2-triphenylethyl)oxolan-3-yl] phosphate
CID 134933270
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;bis(1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one);bis(1-[(2R,4R,5R)-5-(hydroxymethyl)-4-(18O)oxidanyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one);1-[(2R,4R,5R)-5-(hydroxymethyl)-4-(18O)oxidanyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one;bis(1-[(2R,4R,5R)-4-hydroxy-5-((18O)oxidanylmethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one);1-[(2R,4R,5R)-4-hydroxy-5-((18O)oxidanylmethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one;bis(5-methyl-2-methylidene-1-[(2R,4R,5R)-4-(18O)oxidanyl-5-((18O)oxidanylmethyl)oxolan-2-yl]pyrimidin-4-one);5-methyl-2-methylidene-1-[(2R,4R,5R)-4-(18O)oxidanyl-5-((18O)oxidanylmethyl)oxolan-2-yl]pyrimidin-4-(18O)one
CID 158369812
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one
CID 158369816
3-[5-(deuteriooxymethyl)-4-hydroxyoxolan-2-yl]-1,5-dimethyl-3H-pyridine-2,6-dione
CID 163565652
1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
CID 20810150

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione?
The IUPAC name of 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione (CID 21040898) is 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione?
The canonical SMILES for 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione is CC1=CC(C2CC(CO)N(C)O2)C(=O)NC1=O.
What is the InChIKey of 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione?
The InChIKey is LWZXGJJAZXBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-3-8(11(16)12-10(6)15)9-4-7(5-14)13(2)17-9/h3,7-9,14H,4-5H2,1-2H3,(H,12,15,16).
What are the key properties of 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione?
3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione has a molecular weight of 240.26 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 21040898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).