3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

C13H16N4O — CID 104914942

IUPAC3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccnc(-c2noc([C@@H]3CCCCN3)n2)c1
InChIInChI=1S/C13H16N4O/c1-9-5-7-15-11(8-9)12-16-13(18-17-12)10-4-2-3-6-14-10/h5,7-8,10,14H,2-4,6H2,1H3/t10-/m0/s1
InChIKeyGWAQRLDOEBGPBS-JTQLQIEISA-N
MW244.30 g/mol
LogP2.25
Rot. Bonds2

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

3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104914942) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID104914942
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccnc(-c2noc([C@@H]3CCCCN3)n2)c1
InChIInChI=1S/C13H16N4O/c1-9-5-7-15-11(8-9)12-16-13(18-17-12)10-4-2-3-6-14-10/h5,7-8,10,14H,2-4,6H2,1H3/t10-/m0/s1
InChIKeyGWAQRLDOEBGPBS-JTQLQIEISA-N
XLogP2.25
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
CID 104914946
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899226
3-(2-methoxy-4-methylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 106789490
3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914944
3-(3,5-dimethyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 113365456
3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915048
5-(azepan-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 113453222
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 104914942) is 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is Cc1ccnc(-c2noc([C@@H]3CCCCN3)n2)c1.
What is the InChIKey of 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is GWAQRLDOEBGPBS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-5-7-15-11(8-9)12-16-13(18-17-12)10-4-2-3-6-14-10/h5,7-8,10,14H,2-4,6H2,1H3/t10-/m0/s1.
What are the key properties of 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).