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

C9H8N4O4 — CID 139553527

IUPAC6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESO=C1COc2ncc(N3CCOC3=O)nc2N1
InChIInChI=1S/C9H8N4O4/c14-6-4-17-8-7(12-6)11-5(3-10-8)13-1-2-16-9(13)15/h3H,1-2,4H2,(H,11,12,14)
InChIKeyYEVOFSPWHPTBJL-UHFFFAOYSA-N
MW236.19 g/mol
LogP-0.24
Rot. Bonds1

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

6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 139553527) has the molecular formula C9H8N4O4 and a molecular weight of 236.19 g/mol. Its IUPAC name is 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID139553527
Molecular FormulaC9H8N4O4
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Name6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESO=C1COc2ncc(N3CCOC3=O)nc2N1
InChIInChI=1S/C9H8N4O4/c14-6-4-17-8-7(12-6)11-5(3-10-8)13-1-2-16-9(13)15/h3H,1-2,4H2,(H,11,12,14)
InChIKeyYEVOFSPWHPTBJL-UHFFFAOYSA-N
XLogP-0.24
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 139553527) is 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one is O=C1COc2ncc(N3CCOC3=O)nc2N1.
What is the InChIKey of 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is YEVOFSPWHPTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4/c14-6-4-17-8-7(12-6)11-5(3-10-8)13-1-2-16-9(13)15/h3H,1-2,4H2,(H,11,12,14).
What are the key properties of 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 236.19 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 139553527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).