2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

C20H16F3N3O3S — CID 44589736

IUPAC2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2
InChIKeyZSGSJOKPFNUESJ-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.56
Rot. Bonds4

About 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 44589736) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID44589736
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2
InChIKeyZSGSJOKPFNUESJ-UHFFFAOYSA-N
XLogP4.56
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone 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 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 44589736) is 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is ZSGSJOKPFNUESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2.
What are the key properties of 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 435.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 44589736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).