2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C39H42F12N6O10 — CID 137491517

About 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491517) has the molecular formula C39H42F12N6O10 and a molecular weight of 982.77 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 137491517
• Molecular Formula: C39H42F12N6O10
• Molecular Weight: 982.77 g/mol
• Exact Mass: 982.28
• IUPAC Name: 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: O=C(COC1CC(COC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4C4C(COC(F)(F)F)C4c4nnc(C56CC(NC(=O)COC7CC(OC(F)(F)F)C7)(C5)C6)o4)o3)(C1)C2
• InChI: InChI=1S/C39H42F12N6O10/c40-36(41,42)62-6-16-1-17(2-16)60-8-23(58)52-34-10-32(11-34,12-34)30-56-54-28(64-30)20-5-22(67-39(49,50)51)25(20)26-21(7-63-37(43,44)45)27(26)29-55-57-31(65-29)33-13-35(14-33,15-33)53-24(59)9-61-18-3-19(4-18)66-38(46,47)48/h16-22,25-27H,1-15H2,(H,52,58)(H,53,59)
• InChIKey: KOLQDZFCIRJMDP-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 191.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	982.77
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491517) is 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CC(COC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4C4C(COC(F)(F)F)C4c4nnc(C56CC(NC(=O)COC7CC(OC(F)(F)F)C7)(C5)C6)o4)o3)(C1)C2.

What is the InChIKey of 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is KOLQDZFCIRJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42F12N6O10/c40-36(41,42)62-6-16-1-17(2-16)60-8-23(58)52-34-10-32(11-34,12-34)30-56-54-28(64-30)20-5-22(67-39(49,50)51)25(20)26-21(7-63-37(43,44)45)27(26)29-55-57-31(65-29)33-13-35(14-33,15-33)53-24(59)9-61-18-3-19(4-18)66-38(46,47)48/h16-22,25-27H,1-15H2,(H,52,58)(H,53,59).

What are the key properties of 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 982.77 g/mol, XLogP of 6.02, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).