3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

C17H14F3N3O3S — CID 36866154

About 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (PubChem CID 36866154) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
• PubChem CID: 36866154
• Molecular Formula: C17H14F3N3O3S
• Molecular Weight: 397.38 g/mol
• Exact Mass: 397.07
• IUPAC Name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
• SMILES: O=C(CCc1nc(-c2ccco2)no1)Nc1ccccc1SCC(F)(F)F
• InChI: InChI=1S/C17H14F3N3O3S/c18-17(19,20)10-27-13-6-2-1-4-11(13)21-14(24)7-8-15-22-16(23-26-15)12-5-3-9-25-12/h1-6,9H,7-8,10H2,(H,21,24)
• InChIKey: YKZIXARKIOFNRI-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.38
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?

The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (CID 36866154) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.

What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?

The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is O=C(CCc1nc(-c2ccco2)no1)Nc1ccccc1SCC(F)(F)F.

What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?

The InChIKey is YKZIXARKIOFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c18-17(19,20)10-27-13-6-2-1-4-11(13)21-14(24)7-8-15-22-16(23-26-15)12-5-3-9-25-12/h1-6,9H,7-8,10H2,(H,21,24).

What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide has a molecular weight of 397.38 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 36866154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).