3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide

C15H12F3N3O3S — CID 45206760

About 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide

3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide (PubChem CID 45206760) has the molecular formula C15H12F3N3O3S and a molecular weight of 371.34 g/mol. Its IUPAC name is 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
• PubChem CID: 45206760
• Molecular Formula: C15H12F3N3O3S
• Molecular Weight: 371.34 g/mol
• Exact Mass: 371.06
• IUPAC Name: 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
• SMILES: O=C(CCc1nnc(-c2ccsc2)o1)NC(c1ccco1)C(F)(F)F
• InChI: InChI=1S/C15H12F3N3O3S/c16-15(17,18)13(10-2-1-6-23-10)19-11(22)3-4-12-20-21-14(24-12)9-5-7-25-8-9/h1-2,5-8,13H,3-4H2,(H,19,22)
• InChIKey: KZIZWTQIIBUREJ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.34
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide (CID 45206760) is 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide.

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

The canonical SMILES for 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide is O=C(CCc1nnc(-c2ccsc2)o1)NC(c1ccco1)C(F)(F)F.

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

The InChIKey is KZIZWTQIIBUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3S/c16-15(17,18)13(10-2-1-6-23-10)19-11(22)3-4-12-20-21-14(24-12)9-5-7-25-8-9/h1-2,5-8,13H,3-4H2,(H,19,22).

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

3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide has a molecular weight of 371.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 45206760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).