N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

C17H13F3N4O2S — CID 71784173

About N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (PubChem CID 71784173) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
• PubChem CID: 71784173
• Molecular Formula: C17H13F3N4O2S
• Molecular Weight: 394.38 g/mol
• Exact Mass: 394.07
• IUPAC Name: N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
• SMILES: O=C(Nc1cccs1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1
• InChI: InChI=1S/C17H13F3N4O2S/c18-17(19,20)12-4-1-3-10(7-12)14-22-15(26-23-14)11-8-24(9-11)16(25)21-13-5-2-6-27-13/h1-7,11H,8-9H2,(H,21,25)
• InChIKey: OIAIILGCBJYXER-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.38
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

The IUPAC name of N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (CID 71784173) is N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.

What is the SMILES notation for N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

The canonical SMILES for N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is O=C(Nc1cccs1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1.

What is the InChIKey of N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

The InChIKey is OIAIILGCBJYXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-17(19,20)12-4-1-3-10(7-12)14-22-15(26-23-14)11-8-24(9-11)16(25)21-13-5-2-6-27-13/h1-7,11H,8-9H2,(H,21,25).

What are the key properties of N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is sourced from PubChem (CID 71784173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).