6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one

C18H26N4O5Si — CID 156862436

IUPAC6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
SMILESC=CCC1CN(c2cnc3c(n2)N(COCC[Si](C)(C)C)C(=O)CO3)C(=O)O1
InChIInChI=1S/C18H26N4O5Si/c1-5-6-13-10-21(18(24)27-13)14-9-19-17-16(20-14)22(15(23)11-26-17)12-25-7-8-28(2,3)4/h5,9,13H,1,6-8,10-12H2,2-4H3
InChIKeyUIWMDYYRBUQACC-UHFFFAOYSA-N
MW406.52 g/mol
LogP2.42
Rot. Bonds8

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

6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 156862436) has the molecular formula C18H26N4O5Si and a molecular weight of 406.52 g/mol. Its IUPAC name is 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID156862436
Molecular FormulaC18H26N4O5Si
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC Name6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
SMILESC=CCC1CN(c2cnc3c(n2)N(COCC[Si](C)(C)C)C(=O)CO3)C(=O)O1
InChIInChI=1S/C18H26N4O5Si/c1-5-6-13-10-21(18(24)27-13)14-9-19-17-16(20-14)22(15(23)11-26-17)12-25-7-8-28(2,3)4/h5,9,13H,1,6-8,10-12H2,2-4H3
InChIKeyUIWMDYYRBUQACC-UHFFFAOYSA-N
XLogP2.42
TPSA94.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one (CID 156862436) is 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one is C=CCC1CN(c2cnc3c(n2)N(COCC[Si](C)(C)C)C(=O)CO3)C(=O)O1.
What is the InChIKey of 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is UIWMDYYRBUQACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5Si/c1-5-6-13-10-21(18(24)27-13)14-9-19-17-16(20-14)22(15(23)11-26-17)12-25-7-8-28(2,3)4/h5,9,13H,1,6-8,10-12H2,2-4H3.
What are the key properties of 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 406.52 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 156862436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).