2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C11H11F3N4O — CID 79258423

IUPAC2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(Cc2ccccn2)no1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)7-15-6-10-17-9(18-19-10)5-8-3-1-2-4-16-8/h1-4,15H,5-7H2
InChIKeyMCVVAGJMZNYVKX-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.71
Rot. Bonds5

About 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79258423) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79258423
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(Cc2ccccn2)no1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)7-15-6-10-17-9(18-19-10)5-8-3-1-2-4-16-8/h1-4,15H,5-7H2
InChIKeyMCVVAGJMZNYVKX-UHFFFAOYSA-N
XLogP1.71
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79258423) is 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is FC(F)(F)CNCc1nc(Cc2ccccn2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is MCVVAGJMZNYVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)7-15-6-10-17-9(18-19-10)5-8-3-1-2-4-16-8/h1-4,15H,5-7H2.
What are the key properties of 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 272.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79258423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).