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

C20H19F3N4O2 — CID 166105108

IUPAC2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ncccc1OCC1CCCN(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)17-16(9-4-10-24-17)28-13-14-6-5-11-27(12-14)19-26-25-18(29-19)15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2
InChIKeyABZOVRDEQBRZHZ-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.45
Rot. Bonds5

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

2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole (PubChem CID 166105108) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole
PubChem CID166105108
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ncccc1OCC1CCCN(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)17-16(9-4-10-24-17)28-13-14-6-5-11-27(12-14)19-26-25-18(29-19)15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2
InChIKeyABZOVRDEQBRZHZ-UHFFFAOYSA-N
XLogP4.45
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole (CID 166105108) is 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole is FC(F)(F)c1ncccc1OCC1CCCN(c2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is ABZOVRDEQBRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)17-16(9-4-10-24-17)28-13-14-6-5-11-27(12-14)19-26-25-18(29-19)15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2.
What are the key properties of 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole?
2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 404.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 166105108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).