N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C24H20F3N3O4 — CID 83275000

About N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 83275000) has the molecular formula C24H20F3N3O4 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• PubChem CID: 83275000
• Molecular Formula: C24H20F3N3O4
• Molecular Weight: 471.44 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)N(CCc2nc(-c3cccc(C(F)(F)F)c3)no2)Cc2ccco2)cc1
• InChI: InChI=1S/C24H20F3N3O4/c1-32-19-9-7-16(8-10-19)23(31)30(15-20-6-3-13-33-20)12-11-21-28-22(29-34-21)17-4-2-5-18(14-17)24(25,26)27/h2-10,13-14H,11-12,15H2,1H3
• InChIKey: UFTPFVWNOQPTDU-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 81.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.44
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 83275000) is N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is COc1ccc(C(=O)N(CCc2nc(-c3cccc(C(F)(F)F)c3)no2)Cc2ccco2)cc1.

What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The InChIKey is UFTPFVWNOQPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O4/c1-32-19-9-7-16(8-10-19)23(31)30(15-20-6-3-13-33-20)12-11-21-28-22(29-34-21)17-4-2-5-18(14-17)24(25,26)27/h2-10,13-14H,11-12,15H2,1H3.

What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 471.44 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 83275000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).