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

C16H17F6N3O6 — CID 142528041

IUPAC2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC1(c1nnc(OCCOC(F)(F)F)o1)C2
InChIInChI=1S/C16H17F6N3O6/c17-15(18,19)29-2-1-27-12-25-24-11(30-12)13-6-14(13,7-13)23-10(26)5-28-8-3-9(4-8)31-16(20,21)22/h8-9H,1-7H2,(H,23,26)
InChIKeyMKKXGYABEYSCFC-UHFFFAOYSA-N
MW461.32 g/mol
LogP1.97
Rot. Bonds10

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

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide (PubChem CID 142528041) has the molecular formula C16H17F6N3O6 and a molecular weight of 461.32 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide
PubChem CID142528041
Molecular FormulaC16H17F6N3O6
Molecular Weight461.32 g/mol
Exact Mass461.10
IUPAC Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC1(c1nnc(OCCOC(F)(F)F)o1)C2
InChIInChI=1S/C16H17F6N3O6/c17-15(18,19)29-2-1-27-12-25-24-11(30-12)13-6-14(13,7-13)23-10(26)5-28-8-3-9(4-8)31-16(20,21)22/h8-9H,1-7H2,(H,23,26)
InChIKeyMKKXGYABEYSCFC-UHFFFAOYSA-N
XLogP1.97
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
The IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide (CID 142528041) is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC1(c1nnc(OCCOC(F)(F)F)o1)C2.
What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
The InChIKey is MKKXGYABEYSCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6N3O6/c17-15(18,19)29-2-1-27-12-25-24-11(30-12)13-6-14(13,7-13)23-10(26)5-28-8-3-9(4-8)31-16(20,21)22/h8-9H,1-7H2,(H,23,26).
What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide has a molecular weight of 461.32 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide is sourced from PubChem (CID 142528041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).