1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone

C11H11F3N2O2S — CID 97106849

IUPAC1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone
SMILESO=C(CSCC(F)(F)F)N1CCOc2ccncc21
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)7-19-6-10(17)16-3-4-18-9-1-2-15-5-8(9)16/h1-2,5H,3-4,6-7H2
InChIKeyBXORAGFQFSTXMH-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone

1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone (PubChem CID 97106849) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone
PubChem CID97106849
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone
SMILESO=C(CSCC(F)(F)F)N1CCOc2ccncc21
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)7-19-6-10(17)16-3-4-18-9-1-2-15-5-8(9)16/h1-2,5H,3-4,6-7H2
InChIKeyBXORAGFQFSTXMH-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone (CID 97106849) is 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone is O=C(CSCC(F)(F)F)N1CCOc2ccncc21.
What is the InChIKey of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone?
The InChIKey is BXORAGFQFSTXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c12-11(13,14)7-19-6-10(17)16-3-4-18-9-1-2-15-5-8(9)16/h1-2,5H,3-4,6-7H2.
What are the key properties of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone?
1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone has a molecular weight of 292.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(2,2,2-trifluoroethylsulfanyl)ethanone is sourced from PubChem (CID 97106849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).