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

C11H11FN4O — CID 79719777

IUPAC3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCNC3)n2)nc1
InChIInChI=1S/C11H11FN4O/c12-8-1-2-9(14-6-8)10-15-11(17-16-10)7-3-4-13-5-7/h1-2,6-7,13H,3-5H2
InChIKeyNWJFLSNUIKOMQW-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.35
Rot. Bonds2

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

3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 79719777) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID79719777
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCNC3)n2)nc1
InChIInChI=1S/C11H11FN4O/c12-8-1-2-9(14-6-8)10-15-11(17-16-10)7-3-4-13-5-7/h1-2,6-7,13H,3-5H2
InChIKeyNWJFLSNUIKOMQW-UHFFFAOYSA-N
XLogP1.35
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 79719777) is 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCNC3)n2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is NWJFLSNUIKOMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-8-1-2-9(14-6-8)10-15-11(17-16-10)7-3-4-13-5-7/h1-2,6-7,13H,3-5H2.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 234.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 79719777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).