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

C20H23F6N3O5 — CID 137491544

IUPAC2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc(C4CC(COC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C20H23F6N3O5/c21-19(22,23)32-5-10-1-11(2-10)15-28-29-16(33-15)17-7-18(8-17,9-17)27-14(30)6-31-12-3-13(4-12)34-20(24,25)26/h10-13H,1-9H2,(H,27,30)
InChIKeyKLEPHCDAIOOYPN-UHFFFAOYSA-N
MW499.41 g/mol
LogP3.47
Rot. Bonds9

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

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491544) has the molecular formula C20H23F6N3O5 and a molecular weight of 499.41 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID137491544
Molecular FormulaC20H23F6N3O5
Molecular Weight499.41 g/mol
Exact Mass499.15
IUPAC Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc(C4CC(COC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C20H23F6N3O5/c21-19(22,23)32-5-10-1-11(2-10)15-28-29-16(33-15)17-7-18(8-17,9-17)27-14(30)6-31-12-3-13(4-12)34-20(24,25)26/h10-13H,1-9H2,(H,27,30)
InChIKeyKLEPHCDAIOOYPN-UHFFFAOYSA-N
XLogP3.47
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491544) is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc(C4CC(COC(F)(F)F)C4)o3)(C1)C2.
What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is KLEPHCDAIOOYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6N3O5/c21-19(22,23)32-5-10-1-11(2-10)15-28-29-16(33-15)17-7-18(8-17,9-17)27-14(30)6-31-12-3-13(4-12)34-20(24,25)26/h10-13H,1-9H2,(H,27,30).
What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 499.41 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).