5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole

C13H16N4O — CID 95817184

IUPAC5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(c3ccncc3)CC2)no1
InChIInChI=1S/C13H16N4O/c1-10-15-13(16-18-10)11-4-8-17(9-5-11)12-2-6-14-7-3-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyHXFMWIARSTYDBB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.16
Rot. Bonds2

About 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole

5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 95817184) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID95817184
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(c3ccncc3)CC2)no1
InChIInChI=1S/C13H16N4O/c1-10-15-13(16-18-10)11-4-8-17(9-5-11)12-2-6-14-7-3-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyHXFMWIARSTYDBB-UHFFFAOYSA-N
XLogP2.16
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 72867802
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 75384063
5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
CID 71924088
5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 110254319
1-pyridin-4-ylpiperidine-4-thiol
CID 153166689
3-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 133284808
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 79231652
N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 79101320
4-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053030
4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 94381252
3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053059

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 95817184) is 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole is Cc1nc(C2CCN(c3ccncc3)CC2)no1.
What is the InChIKey of 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is HXFMWIARSTYDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-15-13(16-18-10)11-4-8-17(9-5-11)12-2-6-14-7-3-12/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole?
5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 95817184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).