1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine

C26H20F4N6O2 — CID 162722744

About 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine

1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 162722744) has the molecular formula C26H20F4N6O2 and a molecular weight of 524.48 g/mol. Its IUPAC name is 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
• PubChem CID: 162722744
• Molecular Formula: C26H20F4N6O2
• Molecular Weight: 524.48 g/mol
• Exact Mass: 524.16
• IUPAC Name: 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
• SMILES: CN(Cc1ccncc1)Cc1ccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)cc1
• InChI: InChI=1S/C26H20F4N6O2/c1-36(14-16-6-8-31-9-7-16)13-15-2-4-17(5-3-15)24-32-22(35-38-24)12-19-20(27)10-18(11-21(19)28)25-33-34-26(37-25)23(29)30/h2-11,23H,12-14H2,1H3
• InChIKey: WAIJQDUWJDXRFI-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 93.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.48
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?

The IUPAC name of 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (CID 162722744) is 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.

What is the SMILES notation for 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?

The canonical SMILES for 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is CN(Cc1ccncc1)Cc1ccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)cc1.

What is the InChIKey of 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?

The InChIKey is WAIJQDUWJDXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6O2/c1-36(14-16-6-8-31-9-7-16)13-15-2-4-17(5-3-15)24-32-22(35-38-24)12-19-20(27)10-18(11-21(19)28)25-33-34-26(37-25)23(29)30/h2-11,23H,12-14H2,1H3.

What are the key properties of 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?

1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 524.48 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 162722744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).