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

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

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide (PubChem CID 137491514) has the molecular formula C17H19F6N3O5 and a molecular weight of 459.34 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-[2-(trifluoromethoxy)ethoxy]acetamide.

Molecular Properties

Compound Name	N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide
PubChem CID	137491514
Molecular Formula	C17H19F6N3O5
Molecular Weight	459.34 g/mol
Exact Mass	459.12
IUPAC Name	N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide
SMILES	O=C(COCCOC(F)(F)F)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChI	InChI=1S/C17H19F6N3O5/c18-16(19,20)29-2-1-28-5-11(27)24-15-6-14(7-15,8-15)13-26-25-12(30-13)9-3-10(4-9)31-17(21,22)23/h9-10H,1-8H2,(H,24,27)
InChIKey	UTTPMOBJZDJRJQ-UHFFFAOYSA-N
XLogP	2.70
TPSA	95.71 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.34
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

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-[2-(trifluoromethoxy)ethoxy]acetamide?

The IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide (CID 137491514) is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide.

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-[2-(trifluoromethoxy)ethoxy]acetamide?

The canonical SMILES for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide is O=C(COCCOC(F)(F)F)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-[2-(trifluoromethoxy)ethoxy]acetamide?

The InChIKey is UTTPMOBJZDJRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F6N3O5/c18-16(19,20)29-2-1-28-5-11(27)24-15-6-14(7-15,8-15)13-26-25-12(30-13)9-3-10(4-9)31-17(21,22)23/h9-10H,1-8H2,(H,24,27).

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-[2-(trifluoromethoxy)ethoxy]acetamide?

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide has a molecular weight of 459.34 g/mol, XLogP of 2.70, 9 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-[2-(trifluoromethoxy)ethoxy]acetamide is sourced from PubChem (CID 137491514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).