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

C10H11N5O4 — CID 139552257

IUPAC6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESNC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C10H11N5O4/c11-1-5-3-15(10(17)19-5)6-2-12-9-8(13-6)14-7(16)4-18-9/h2,5H,1,3-4,11H2,(H,13,14,16)/t5-/m0/s1
InChIKeyNPVMLQWOADQASB-YFKPBYRVSA-N
MW265.23 g/mol
LogP-0.91
Rot. Bonds2

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

6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 139552257) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID139552257
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESNC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C10H11N5O4/c11-1-5-3-15(10(17)19-5)6-2-12-9-8(13-6)14-7(16)4-18-9/h2,5H,1,3-4,11H2,(H,13,14,16)/t5-/m0/s1
InChIKeyNPVMLQWOADQASB-YFKPBYRVSA-N
XLogP-0.91
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 139552257) is 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is NC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is NPVMLQWOADQASB-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11N5O4/c11-1-5-3-15(10(17)19-5)6-2-12-9-8(13-6)14-7(16)4-18-9/h2,5H,1,3-4,11H2,(H,13,14,16)/t5-/m0/s1.
What are the key properties of 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 265.23 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 139552257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).