3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C9H8FN3O — CID 118348723

IUPAC3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2ncccc2F)n1
InChIInChI=1S/C9H8FN3O/c1-2-7-12-9(14-13-7)8-6(10)4-3-5-11-8/h3-5H,2H2,1H3
InChIKeyNLLGDJJIVAMFFR-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.83
Rot. Bonds2

About 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole

3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 118348723) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID118348723
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2ncccc2F)n1
InChIInChI=1S/C9H8FN3O/c1-2-7-12-9(14-13-7)8-6(10)4-3-5-11-8/h3-5H,2H2,1H3
InChIKeyNLLGDJJIVAMFFR-UHFFFAOYSA-N
XLogP1.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 118348723) is 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole is CCc1noc(-c2ncccc2F)n1.
What is the InChIKey of 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is NLLGDJJIVAMFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-2-7-12-9(14-13-7)8-6(10)4-3-5-11-8/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 193.18 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118348723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).