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

C12H13FN4O — CID 104911952

IUPAC3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@@H]3CCCNC3)n2)nc1
InChIInChI=1S/C12H13FN4O/c13-9-3-4-10(15-7-9)11-16-12(18-17-11)8-2-1-5-14-6-8/h3-4,7-8,14H,1-2,5-6H2/t8-/m1/s1
InChIKeyIMMURPDVXJMVFL-MRVPVSSYSA-N
MW248.26 g/mol
LogP1.74
Rot. Bonds2

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

3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911952) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911952
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@@H]3CCCNC3)n2)nc1
InChIInChI=1S/C12H13FN4O/c13-9-3-4-10(15-7-9)11-16-12(18-17-11)8-2-1-5-14-6-8/h3-4,7-8,14H,1-2,5-6H2/t8-/m1/s1
InChIKeyIMMURPDVXJMVFL-MRVPVSSYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]morpholine
CID 79720207
3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915048
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912043
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911952) is 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is Fc1ccc(-c2noc([C@@H]3CCCNC3)n2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is IMMURPDVXJMVFL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-3-4-10(15-7-9)11-16-12(18-17-11)8-2-1-5-14-6-8/h3-4,7-8,14H,1-2,5-6H2/t8-/m1/s1.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 248.26 g/mol, XLogP of 1.74, 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-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).