2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole

C23H27F3N6O2 — CID 158876896

About 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole

2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole (PubChem CID 158876896) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole
• PubChem CID: 158876896
• Molecular Formula: C23H27F3N6O2
• Molecular Weight: 476.50 g/mol
• Exact Mass: 476.21
• IUPAC Name: 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole
• SMILES: Cc1nnc(N2C[C@H]3CC[C@@H](C2)C3Cc2nc(Oc3cccc(C(F)(F)F)c3)n(C(C)C)n2)o1
• InChI: InChI=1S/C23H27F3N6O2/c1-13(2)32-21(34-18-6-4-5-17(9-18)23(24,25)26)27-20(30-32)10-19-15-7-8-16(19)12-31(11-15)22-29-28-14(3)33-22/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3/t15-,16+,19?
• InChIKey: UIUCNKFFUXIMKQ-MCPYQZEQSA-N
• XLogP: 5.07
• TPSA: 82.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.50
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole (CID 158876896) is 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole is Cc1nnc(N2C[C@H]3CC[C@@H](C2)C3Cc2nc(Oc3cccc(C(F)(F)F)c3)n(C(C)C)n2)o1.

What is the InChIKey of 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole?

The InChIKey is UIUCNKFFUXIMKQ-MCPYQZEQSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c1-13(2)32-21(34-18-6-4-5-17(9-18)23(24,25)26)27-20(30-32)10-19-15-7-8-16(19)12-31(11-15)22-29-28-14(3)33-22/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3/t15-,16+,19?.

What are the key properties of 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole?

2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole has a molecular weight of 476.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 158876896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).