N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide

C20H23F6N3O5 — CID 137491409

IUPACN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
SMILESO=C(CO[C@H]1CC[C@@H](OC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C20H23F6N3O5/c21-19(22,23)33-12-2-1-11(5-12)31-6-14(30)27-18-7-17(8-18,9-18)16-29-28-15(32-16)10-3-13(4-10)34-20(24,25)26/h10-13H,1-9H2,(H,27,30)/t10?,11-,12+,13?,17?,18?/m0/s1
InChIKeyXFCNFLHVVBFGKG-QIDKCBSFSA-N
MW499.41 g/mol
LogP3.62
Rot. Bonds8

About N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide (PubChem CID 137491409) has the molecular formula C20H23F6N3O5 and a molecular weight of 499.41 g/mol. Its IUPAC name is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide.

Molecular Properties

Compound NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
PubChem CID137491409
Molecular FormulaC20H23F6N3O5
Molecular Weight499.41 g/mol
Exact Mass499.15
IUPAC NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
SMILESO=C(CO[C@H]1CC[C@@H](OC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C20H23F6N3O5/c21-19(22,23)33-12-2-1-11(5-12)31-6-14(30)27-18-7-17(8-18,9-18)16-29-28-15(32-16)10-3-13(4-10)34-20(24,25)26/h10-13H,1-9H2,(H,27,30)/t10?,11-,12+,13?,17?,18?/m0/s1
InChIKeyXFCNFLHVVBFGKG-QIDKCBSFSA-N
XLogP3.62
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
The IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide (CID 137491409) is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide.
What is the SMILES notation for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
The canonical SMILES for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide is O=C(CO[C@H]1CC[C@@H](OC(F)(F)F)C1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2.
What is the InChIKey of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
The InChIKey is XFCNFLHVVBFGKG-QIDKCBSFSA-N. The full InChI is InChI=1S/C20H23F6N3O5/c21-19(22,23)33-12-2-1-11(5-12)31-6-14(30)27-18-7-17(8-18,9-18)16-29-28-15(32-16)10-3-13(4-10)34-20(24,25)26/h10-13H,1-9H2,(H,27,30)/t10?,11-,12+,13?,17?,18?/m0/s1.
What are the key properties of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide has a molecular weight of 499.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide is sourced from PubChem (CID 137491409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).