N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide

C25H21F5N8O2 — CID 118378122

About N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide

N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 118378122) has the molecular formula C25H21F5N8O2 and a molecular weight of 560.49 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide
• PubChem CID: 118378122
• Molecular Formula: C25H21F5N8O2
• Molecular Weight: 560.49 g/mol
• Exact Mass: 560.17
• IUPAC Name: N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide
• SMILES: Cc1nc(C)c(-c2nnc(-c3ccnc(C(F)(F)F)n3)o2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1
• InChI: InChI=1S/C25H21F5N8O2/c1-12-18(22-37-36-21(40-22)17-6-9-31-23(34-17)25(28,29)30)19(33-13(2)32-12)14-7-10-38(11-8-14)24(39)35-20-15(26)4-3-5-16(20)27/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,35,39)
• InChIKey: DMBOVCKFAJXEFR-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 122.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

The IUPAC name of N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide (CID 118378122) is N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide is Cc1nc(C)c(-c2nnc(-c3ccnc(C(F)(F)F)n3)o2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1.

What is the InChIKey of N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

The InChIKey is DMBOVCKFAJXEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N8O2/c1-12-18(22-37-36-21(40-22)17-6-9-31-23(34-17)25(28,29)30)19(33-13(2)32-12)14-7-10-38(11-8-14)24(39)35-20-15(26)4-3-5-16(20)27/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,35,39).

What are the key properties of N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide?

N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 560.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118378122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).