2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide

C19H23F6N3O5 — CID 167267310

IUPAC2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCc1nnc(C2CC(COC(F)(F)F)C2)o1)NC(=O)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C19H23F6N3O5/c1-10(26-15(29)9-30-13-6-14(7-13)33-19(23,24)25)2-3-16-27-28-17(32-16)12-4-11(5-12)8-31-18(20,21)22/h11-14H,1-9H2,(H,26,29)
InChIKeyYXIPNHHQSCVFOC-UHFFFAOYSA-N
MW487.40 g/mol
LogP3.75
Rot. Bonds11

About 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide (PubChem CID 167267310) has the molecular formula C19H23F6N3O5 and a molecular weight of 487.40 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
PubChem CID167267310
Molecular FormulaC19H23F6N3O5
Molecular Weight487.40 g/mol
Exact Mass487.15
IUPAC Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCc1nnc(C2CC(COC(F)(F)F)C2)o1)NC(=O)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C19H23F6N3O5/c1-10(26-15(29)9-30-13-6-14(7-13)33-19(23,24)25)2-3-16-27-28-17(32-16)12-4-11(5-12)8-31-18(20,21)22/h11-14H,1-9H2,(H,26,29)
InChIKeyYXIPNHHQSCVFOC-UHFFFAOYSA-N
XLogP3.75
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide (CID 167267310) is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide is C=C(CCc1nnc(C2CC(COC(F)(F)F)C2)o1)NC(=O)COC1CC(OC(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The InChIKey is YXIPNHHQSCVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F6N3O5/c1-10(26-15(29)9-30-13-6-14(7-13)33-19(23,24)25)2-3-16-27-28-17(32-16)12-4-11(5-12)8-31-18(20,21)22/h11-14H,1-9H2,(H,26,29).
What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide has a molecular weight of 487.40 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[4-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide is sourced from PubChem (CID 167267310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).