5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one

C13H15F3N4O3 — CID 90540044

IUPAC5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)N1
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12-19-18-10(23-12)7-2-1-5-20(6-7)11(22)8-3-4-9(21)17-8/h7-8H,1-6H2,(H,17,21)
InChIKeyBQIMLKXXFQQXCQ-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.07
Rot. Bonds2

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

5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90540044) has the molecular formula C13H15F3N4O3 and a molecular weight of 332.28 g/mol. Its IUPAC name is 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90540044
Molecular FormulaC13H15F3N4O3
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)N1
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12-19-18-10(23-12)7-2-1-5-20(6-7)11(22)8-3-4-9(21)17-8/h7-8H,1-6H2,(H,17,21)
InChIKeyBQIMLKXXFQQXCQ-UHFFFAOYSA-N
XLogP1.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-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 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 90540044) is 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)N1.
What is the InChIKey of 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BQIMLKXXFQQXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O3/c14-13(15,16)12-19-18-10(23-12)7-2-1-5-20(6-7)11(22)8-3-4-9(21)17-8/h7-8H,1-6H2,(H,17,21).
What are the key properties of 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 332.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90540044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).