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

C19H22F6N4O4 — CID 137491541

IUPAC2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CN(CC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C19H22F6N4O4/c20-18(21,22)9-29-3-12(4-29)31-5-13(30)26-17-6-16(7-17,8-17)15-28-27-14(32-15)10-1-11(2-10)33-19(23,24)25/h10-12H,1-9H2,(H,26,30)
InChIKeyLBGXGULPADDTOS-UHFFFAOYSA-N
MW484.40 g/mol
LogP2.41
Rot. Bonds8

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

2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491541) has the molecular formula C19H22F6N4O4 and a molecular weight of 484.40 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID137491541
Molecular FormulaC19H22F6N4O4
Molecular Weight484.40 g/mol
Exact Mass484.15
IUPAC Name2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CN(CC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C19H22F6N4O4/c20-18(21,22)9-29-3-12(4-29)31-5-13(30)26-17-6-16(7-17,8-17)15-28-27-14(32-15)10-1-11(2-10)33-19(23,24)25/h10-12H,1-9H2,(H,26,30)
InChIKeyLBGXGULPADDTOS-UHFFFAOYSA-N
XLogP2.41
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491541) is 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-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-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CN(CC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is LBGXGULPADDTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F6N4O4/c20-18(21,22)9-29-3-12(4-29)31-5-13(30)26-17-6-16(7-17,8-17)15-28-27-14(32-15)10-1-11(2-10)33-19(23,24)25/h10-12H,1-9H2,(H,26,30).
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 484.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).