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

C10H9F3N4O — CID 79257683

IUPAC2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(-c2ccccn2)no1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)6-14-5-8-16-9(17-18-8)7-3-1-2-4-15-7/h1-4,14H,5-6H2
InChIKeyICMBHFXIAKEDDX-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.78
Rot. Bonds4

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

2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 79257683) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID79257683
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(-c2ccccn2)no1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)6-14-5-8-16-9(17-18-8)7-3-1-2-4-15-7/h1-4,14H,5-6H2
InChIKeyICMBHFXIAKEDDX-UHFFFAOYSA-N
XLogP1.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.78
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-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 79257683) is 2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is FC(F)(F)CNCc1nc(-c2ccccn2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is ICMBHFXIAKEDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c11-10(12,13)6-14-5-8-16-9(17-18-8)7-3-1-2-4-15-7/h1-4,14H,5-6H2.
What are the key properties of 2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 258.20 g/mol, XLogP of 1.78, 4 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-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 79257683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).