4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one

C8H8F3N3O2 — CID 167844919

IUPAC4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one
SMILESO=C1CC(c2nnc(C(F)(F)F)o2)CCN1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)7-14-13-6(16-7)4-1-2-12-5(15)3-4/h4H,1-3H2,(H,12,15)
InChIKeyGGHTYBBZVLWGFU-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.08
Rot. Bonds1

About 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one

4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one (PubChem CID 167844919) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one
PubChem CID167844919
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one
SMILESO=C1CC(c2nnc(C(F)(F)F)o2)CCN1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)7-14-13-6(16-7)4-1-2-12-5(15)3-4/h4H,1-3H2,(H,12,15)
InChIKeyGGHTYBBZVLWGFU-UHFFFAOYSA-N
XLogP1.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
The IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one (CID 167844919) is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one is O=C1CC(c2nnc(C(F)(F)F)o2)CCN1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
The InChIKey is GGHTYBBZVLWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)7-14-13-6(16-7)4-1-2-12-5(15)3-4/h4H,1-3H2,(H,12,15).
What are the key properties of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one?
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one has a molecular weight of 235.16 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-2-one is sourced from PubChem (CID 167844919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).