3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

C12H13FN4O — CID 104915048

IUPAC3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@H]3CCCCN3)n2)nc1
InChIInChI=1S/C12H13FN4O/c13-8-4-5-9(15-7-8)11-16-12(18-17-11)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2/t10-/m1/s1
InChIKeyZKINJJRMPVMKQP-SNVBAGLBSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds2

About 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104915048) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID104915048
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@H]3CCCCN3)n2)nc1
InChIInChI=1S/C12H13FN4O/c13-8-4-5-9(15-7-8)11-16-12(18-17-11)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2/t10-/m1/s1
InChIKeyZKINJJRMPVMKQP-SNVBAGLBSA-N
XLogP2.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829
3-[5-(3-fluorophenyl)-2-pyridinyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71088454
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
3-(2-bromo-4-fluorophenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 107280008
3-(4-fluoro-2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 81274408
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
3-(3-bromo-5-fluorophenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915031
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914942

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (CID 104915048) is 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is Fc1ccc(-c2noc([C@H]3CCCCN3)n2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is ZKINJJRMPVMKQP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-8-4-5-9(15-7-8)11-16-12(18-17-11)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2/t10-/m1/s1.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 248.26 g/mol, XLogP of 2.09, 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-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104915048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).