3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

C13H12F3N3O3S — CID 42189260

IUPAC3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(=O)c1ccc(-c2nnc(CCC(=O)NCC(F)(F)F)o2)s1
InChIInChI=1S/C13H12F3N3O3S/c1-7(20)8-2-3-9(23-8)12-19-18-11(22-12)5-4-10(21)17-6-13(14,15)16/h2-3H,4-6H2,1H3,(H,17,21)
InChIKeyUNMXMGIKOPJAPS-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.61
Rot. Bonds6

About 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 42189260) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID42189260
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(=O)c1ccc(-c2nnc(CCC(=O)NCC(F)(F)F)o2)s1
InChIInChI=1S/C13H12F3N3O3S/c1-7(20)8-2-3-9(23-8)12-19-18-11(22-12)5-4-10(21)17-6-13(14,15)16/h2-3H,4-6H2,1H3,(H,17,21)
InChIKeyUNMXMGIKOPJAPS-UHFFFAOYSA-N
XLogP2.61
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide 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 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 42189260) is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC(=O)c1ccc(-c2nnc(CCC(=O)NCC(F)(F)F)o2)s1.
What is the InChIKey of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UNMXMGIKOPJAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c1-7(20)8-2-3-9(23-8)12-19-18-11(22-12)5-4-10(21)17-6-13(14,15)16/h2-3H,4-6H2,1H3,(H,17,21).
What are the key properties of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 347.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 42189260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).