2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole

C15H17F3N4O — CID 128970044

IUPAC2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2CCCCN2Cc2ccccn2)o1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)9-13-20-21-14(23-13)12-6-2-4-8-22(12)10-11-5-1-3-7-19-11/h1,3,5,7,12H,2,4,6,8-10H2
InChIKeyGIBJFFHPEQDXAJ-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.30
Rot. Bonds4

About 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole

2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (PubChem CID 128970044) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
PubChem CID128970044
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2CCCCN2Cc2ccccn2)o1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)9-13-20-21-14(23-13)12-6-2-4-8-22(12)10-11-5-1-3-7-19-11/h1,3,5,7,12H,2,4,6,8-10H2
InChIKeyGIBJFFHPEQDXAJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (CID 128970044) is 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is FC(F)(F)Cc1nnc(C2CCCCN2Cc2ccccn2)o1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The InChIKey is GIBJFFHPEQDXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)9-13-20-21-14(23-13)12-6-2-4-8-22(12)10-11-5-1-3-7-19-11/h1,3,5,7,12H,2,4,6,8-10H2.
What are the key properties of 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole has a molecular weight of 326.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 128970044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).