6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C11H12N4O5 — CID 142490456

IUPAC6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESO=C1COc2ncc(N3CC(CCO)OC3=O)nc2N1
InChIInChI=1S/C11H12N4O5/c16-2-1-6-4-15(11(18)20-6)7-3-12-10-9(13-7)14-8(17)5-19-10/h3,6,16H,1-2,4-5H2,(H,13,14,17)
InChIKeyABHIHBXZISICLI-UHFFFAOYSA-N
MW280.24 g/mol
LogP-0.48
Rot. Bonds3

About 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 142490456) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID142490456
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESO=C1COc2ncc(N3CC(CCO)OC3=O)nc2N1
InChIInChI=1S/C11H12N4O5/c16-2-1-6-4-15(11(18)20-6)7-3-12-10-9(13-7)14-8(17)5-19-10/h3,6,16H,1-2,4-5H2,(H,13,14,17)
InChIKeyABHIHBXZISICLI-UHFFFAOYSA-N
XLogP-0.48
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 142490456) is 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is O=C1COc2ncc(N3CC(CCO)OC3=O)nc2N1.
What is the InChIKey of 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is ABHIHBXZISICLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c16-2-1-6-4-15(11(18)20-6)7-3-12-10-9(13-7)14-8(17)5-19-10/h3,6,16H,1-2,4-5H2,(H,13,14,17).
What are the key properties of 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 280.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-hydroxyethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 142490456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).