1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one

C12H13F3N2O3 — CID 126472794

IUPAC1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one
SMILESCOCCN1C(=O)C(C)Oc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C12H13F3N2O3/c1-7-11(18)17(3-4-19-2)9-5-8(12(13,14)15)6-16-10(9)20-7/h5-7H,3-4H2,1-2H3
InChIKeyCSHITPUEBFFMSA-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one

1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 126472794) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID126472794
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one
SMILESCOCCN1C(=O)C(C)Oc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C12H13F3N2O3/c1-7-11(18)17(3-4-19-2)9-5-8(12(13,14)15)6-16-10(9)20-7/h5-7H,3-4H2,1-2H3
InChIKeyCSHITPUEBFFMSA-UHFFFAOYSA-N
XLogP1.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one (CID 126472794) is 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one is COCCN1C(=O)C(C)Oc2ncc(C(F)(F)F)cc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is CSHITPUEBFFMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-7-11(18)17(3-4-19-2)9-5-8(12(13,14)15)6-16-10(9)20-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one?
1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 290.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-7-(trifluoromethyl)pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 126472794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).