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

C20H19F6N3O5 — CID 167268926

IUPACN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)COc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F6N3O5/c1-11(27-16(30)10-31-13-3-2-4-14(9-13)33-19(21,22)23)5-6-17-28-29-18(32-17)12-7-15(8-12)34-20(24,25)26/h2-4,9,12,15H,1,5-8,10H2,(H,27,30)
InChIKeyRAHRWQKPIOSINK-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.39
Rot. Bonds10

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

N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 167268926) has the molecular formula C20H19F6N3O5 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
PubChem CID167268926
Molecular FormulaC20H19F6N3O5
Molecular Weight495.38 g/mol
Exact Mass495.12
IUPAC NameN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)COc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F6N3O5/c1-11(27-16(30)10-31-13-3-2-4-14(9-13)33-19(21,22)23)5-6-17-28-29-18(32-17)12-7-15(8-12)34-20(24,25)26/h2-4,9,12,15H,1,5-8,10H2,(H,27,30)
InChIKeyRAHRWQKPIOSINK-UHFFFAOYSA-N
XLogP4.39
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
CID 167268085
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]formamide
CID 167268182
2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide
CID 142528037
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
CID 167268092
7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 167268935
N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 167267344
2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide
CID 170641711
2-(4-chloro-3-fluorophenoxy)-N-[2-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 169019072
2-(4-chloro-3-fluorophenoxy)-N-[2-hydroxy-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 155254746
5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 126772324
N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 167267260
2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide
CID 142528068

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (CID 167268926) is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)COc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is RAHRWQKPIOSINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N3O5/c1-11(27-16(30)10-31-13-3-2-4-14(9-13)33-19(21,22)23)5-6-17-28-29-18(32-17)12-7-15(8-12)34-20(24,25)26/h2-4,9,12,15H,1,5-8,10H2,(H,27,30).
What are the key properties of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 495.38 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 167268926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).