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

C10H16F3N3O — CID 79257858

IUPAC2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCC(C)CCc1noc(CNCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-7(2)3-4-8-15-9(17-16-8)5-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyXNYSARDLGJRGJW-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.31
Rot. Bonds6

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

2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79257858) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79257858
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCC(C)CCc1noc(CNCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-7(2)3-4-8-15-9(17-16-8)5-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyXNYSARDLGJRGJW-UHFFFAOYSA-N
XLogP2.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79257858) is 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CC(C)CCc1noc(CNCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is XNYSARDLGJRGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7(2)3-4-8-15-9(17-16-8)5-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79257858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).