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

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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).