2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine

C9H9FN4O — CID 104786429

IUPAC2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2cncc(F)c2)n1
InChIInChI=1S/C9H9FN4O/c10-7-3-6(4-12-5-7)9-13-8(1-2-11)14-15-9/h3-5H,1-2,11H2
InChIKeyXNCYXULMBFWAKL-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.77
Rot. Bonds3

About 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104786429) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104786429
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2cncc(F)c2)n1
InChIInChI=1S/C9H9FN4O/c10-7-3-6(4-12-5-7)9-13-8(1-2-11)14-15-9/h3-5H,1-2,11H2
InChIKeyXNCYXULMBFWAKL-UHFFFAOYSA-N
XLogP0.77
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
CID 104786443
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 113452939
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154285
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104786423
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63892343
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 81476100
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154328
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104786458
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154240
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104786429) is 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(-c2cncc(F)c2)n1.
What is the InChIKey of 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is XNCYXULMBFWAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c10-7-3-6(4-12-5-7)9-13-8(1-2-11)14-15-9/h3-5H,1-2,11H2.
What are the key properties of 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 208.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104786429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).