2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C20H24F3N3O4 — CID 137491547

About 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491547) has the molecular formula C20H24F3N3O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 137491547
• Molecular Formula: C20H24F3N3O4
• Molecular Weight: 427.42 g/mol
• Exact Mass: 427.17
• IUPAC Name: 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: O=C(COC1CC2(CC2)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
• InChI: InChI=1S/C20H24F3N3O4/c21-20(22,23)30-12-3-11(4-12)15-25-26-16(29-15)18-8-19(9-18,10-18)24-14(27)7-28-13-5-17(6-13)1-2-17/h11-13H,1-10H2,(H,24,27)
• InChIKey: YQDJPQKECHFICX-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.42
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491547) is 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CC2(CC2)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2.

What is the InChIKey of 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is YQDJPQKECHFICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O4/c21-20(22,23)30-12-3-11(4-12)15-25-26-16(29-15)18-8-19(9-18,10-18)24-14(27)7-28-13-5-17(6-13)1-2-17/h11-13H,1-10H2,(H,24,27).

What are the key properties of 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 427.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-spiro[2.3]hexan-5-yloxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).