N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide

C16H17F6N3O5 — CID 142528148

IUPACN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide
SMILESO=C(COCCOC(F)(F)F)NC12CC1(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2
InChIInChI=1S/C16H17F6N3O5/c17-15(18,19)28-2-1-27-5-10(26)23-14-6-13(14,7-14)12-25-24-11(29-12)8-3-9(4-8)30-16(20,21)22/h8-9H,1-7H2,(H,23,26)
InChIKeyOJVWRIRDKUAZFY-UHFFFAOYSA-N
MW445.32 g/mol
LogP2.31
Rot. Bonds9

About N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide (PubChem CID 142528148) has the molecular formula C16H17F6N3O5 and a molecular weight of 445.32 g/mol. Its IUPAC name is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide
PubChem CID142528148
Molecular FormulaC16H17F6N3O5
Molecular Weight445.32 g/mol
Exact Mass445.11
IUPAC NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide
SMILESO=C(COCCOC(F)(F)F)NC12CC1(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2
InChIInChI=1S/C16H17F6N3O5/c17-15(18,19)28-2-1-27-5-10(26)23-14-6-13(14,7-14)12-25-24-11(29-12)8-3-9(4-8)30-16(20,21)22/h8-9H,1-7H2,(H,23,26)
InChIKeyOJVWRIRDKUAZFY-UHFFFAOYSA-N
XLogP2.31
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide 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[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide?
The IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide (CID 142528148) is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-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[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide?
The canonical SMILES for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide is O=C(COCCOC(F)(F)F)NC12CC1(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2.
What is the InChIKey of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide?
The InChIKey is OJVWRIRDKUAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6N3O5/c17-15(18,19)28-2-1-27-5-10(26)23-14-6-13(14,7-14)12-25-24-11(29-12)8-3-9(4-8)30-16(20,21)22/h8-9H,1-7H2,(H,23,26).
What are the key properties of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide?
N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide has a molecular weight of 445.32 g/mol, XLogP of 2.31, 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[1.1.0]butanyl]-2-[2-(trifluoromethoxy)ethoxy]acetamide is sourced from PubChem (CID 142528148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).