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

C12H14N4O7S — CID 137357762

IUPAC2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C12H14N4O7S/c1-24(19,20)22-3-2-7-5-16(12(18)23-7)8-4-13-11-10(14-8)15-9(17)6-21-11/h4,7H,2-3,5-6H2,1H3,(H,14,15,17)
InChIKeyVWKKBJOMGJLRDZ-UHFFFAOYSA-N
MW358.33 g/mol
LogP-0.50
Rot. Bonds5

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

2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate (PubChem CID 137357762) has the molecular formula C12H14N4O7S and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate
PubChem CID137357762
Molecular FormulaC12H14N4O7S
Molecular Weight358.33 g/mol
Exact Mass358.06
IUPAC Name2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C12H14N4O7S/c1-24(19,20)22-3-2-7-5-16(12(18)23-7)8-4-13-11-10(14-8)15-9(17)6-21-11/h4,7H,2-3,5-6H2,1H3,(H,14,15,17)
InChIKeyVWKKBJOMGJLRDZ-UHFFFAOYSA-N
XLogP-0.50
TPSA137.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
The IUPAC name of 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate (CID 137357762) is 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
The canonical SMILES for 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate is CS(=O)(=O)OCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
The InChIKey is VWKKBJOMGJLRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O7S/c1-24(19,20)22-3-2-7-5-16(12(18)23-7)8-4-13-11-10(14-8)15-9(17)6-21-11/h4,7H,2-3,5-6H2,1H3,(H,14,15,17).
What are the key properties of 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate has a molecular weight of 358.33 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethyl methanesulfonate is sourced from PubChem (CID 137357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).