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

C11H13N5O4 — CID 142490541

IUPAC6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESNCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C11H13N5O4/c12-2-1-6-4-16(11(18)20-6)7-3-13-10-9(14-7)15-8(17)5-19-10/h3,6H,1-2,4-5,12H2,(H,14,15,17)
InChIKeyLPMXUIAYABQWML-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.52
Rot. Bonds3

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

6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 142490541) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID142490541
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESNCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C11H13N5O4/c12-2-1-6-4-16(11(18)20-6)7-3-13-10-9(14-7)15-8(17)5-19-10/h3,6H,1-2,4-5,12H2,(H,14,15,17)
InChIKeyLPMXUIAYABQWML-UHFFFAOYSA-N
XLogP-0.52
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 142490541) is 6-[5-(2-aminoethyl)-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-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is NCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is LPMXUIAYABQWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c12-2-1-6-4-16(11(18)20-6)7-3-13-10-9(14-7)15-8(17)5-19-10/h3,6H,1-2,4-5,12H2,(H,14,15,17).
What are the key properties of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 279.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 142490541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).