5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

C15H17F3N4O — CID 138040945

IUPAC5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CC2CCCN(c3cccc(C(F)(F)F)n3)C2)no1
InChIInChI=1S/C15H17F3N4O/c1-10-19-13(21-23-10)8-11-4-3-7-22(9-11)14-6-2-5-12(20-14)15(16,17)18/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyPZOPJZXHUGNHRD-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.25
Rot. Bonds3

About 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 138040945) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID138040945
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CC2CCCN(c3cccc(C(F)(F)F)n3)C2)no1
InChIInChI=1S/C15H17F3N4O/c1-10-19-13(21-23-10)8-11-4-3-7-22(9-11)14-6-2-5-12(20-14)15(16,17)18/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyPZOPJZXHUGNHRD-UHFFFAOYSA-N
XLogP3.25
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate
CID 75499064
3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 125130905
(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol
CID 166834244
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 80672529
4-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 75483782
5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97340628
3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133493712
3-ethylsulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]azepane
CID 133311270
methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873
5-methyl-3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95722364
methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
CID 133444594

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 138040945) is 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CC2CCCN(c3cccc(C(F)(F)F)n3)C2)no1.
What is the InChIKey of 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is PZOPJZXHUGNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10-19-13(21-23-10)8-11-4-3-7-22(9-11)14-6-2-5-12(20-14)15(16,17)18/h2,5-6,11H,3-4,7-9H2,1H3.
What are the key properties of 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 326.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 138040945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).