3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C21H20F2N4O2 — CID 53159657

About 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 53159657) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• PubChem CID: 53159657
• Molecular Formula: C21H20F2N4O2
• Molecular Weight: 398.41 g/mol
• Exact Mass: 398.16
• IUPAC Name: 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• SMILES: O=C(NC(c1ccccc1)c1nnc(N2CCCCC2)o1)c1ccc(F)c(F)c1
• InChI: InChI=1S/C21H20F2N4O2/c22-16-10-9-15(13-17(16)23)19(28)24-18(14-7-3-1-4-8-14)20-25-26-21(29-20)27-11-5-2-6-12-27/h1,3-4,7-10,13,18H,2,5-6,11-12H2,(H,24,28)
• InChIKey: JQZYJJFGGBPQBK-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.41
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The IUPAC name of 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 53159657) is 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

What is the SMILES notation for 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The canonical SMILES for 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(NC(c1ccccc1)c1nnc(N2CCCCC2)o1)c1ccc(F)c(F)c1.

What is the InChIKey of 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The InChIKey is JQZYJJFGGBPQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-16-10-9-15(13-17(16)23)19(28)24-18(14-7-3-1-4-8-14)20-25-26-21(29-20)27-11-5-2-6-12-27/h1,3-4,7-10,13,18H,2,5-6,11-12H2,(H,24,28).

What are the key properties of 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 53159657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).