5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide

C19H12ClFN4O4 — CID 142440146

About 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide

5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 142440146) has the molecular formula C19H12ClFN4O4 and a molecular weight of 414.78 g/mol. Its IUPAC name is 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 142440146
• Molecular Formula: C19H12ClFN4O4
• Molecular Weight: 414.78 g/mol
• Exact Mass: 414.05
• IUPAC Name: 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(Cl)cc1C(=O)Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F
• InChI: InChI=1S/C19H12ClFN4O4/c1-27-18-12(8-11(20)9-22-18)16(26)23-14-7-10(4-5-13(14)21)17-24-25-19(29-17)15-3-2-6-28-15/h2-9H,1H3,(H,23,26)
• InChIKey: KXGNMYQPUBBKHS-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.78
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide (CID 142440146) is 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide is COc1ncc(Cl)cc1C(=O)Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F.

What is the InChIKey of 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?

The InChIKey is KXGNMYQPUBBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O4/c1-27-18-12(8-11(20)9-22-18)16(26)23-14-7-10(4-5-13(14)21)17-24-25-19(29-17)15-3-2-6-28-15/h2-9H,1H3,(H,23,26).

What are the key properties of 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?

5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 414.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 142440146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).