5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide

C21H17FN4O4 — CID 60511213

About 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide (PubChem CID 60511213) has the molecular formula C21H17FN4O4 and a molecular weight of 408.39 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
• PubChem CID: 60511213
• Molecular Formula: C21H17FN4O4
• Molecular Weight: 408.39 g/mol
• Exact Mass: 408.12
• IUPAC Name: 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
• SMILES: COc1ccccc1-c1nc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n[nH]1
• InChI: InChI=1S/C21H17FN4O4/c1-28-17-5-3-2-4-16(17)19-23-21(26-25-19)24-20(27)18-11-10-15(30-18)12-29-14-8-6-13(22)7-9-14/h2-11H,12H2,1H3,(H2,23,24,25,26,27)
• InChIKey: UYUGXDYKEDWJJE-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 102.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.39
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide (CID 60511213) is 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide is COc1ccccc1-c1nc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n[nH]1.

What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?

The InChIKey is UYUGXDYKEDWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4/c1-28-17-5-3-2-4-16(17)19-23-21(26-25-19)24-20(27)18-11-10-15(30-18)12-29-14-8-6-13(22)7-9-14/h2-11H,12H2,1H3,(H2,23,24,25,26,27).

What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?

5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide has a molecular weight of 408.39 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 60511213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).