N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide

C19H23F6N3O5 — CID 167268085

IUPACN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)CO[C@H]1CC[C@@H](OC(F)(F)F)C1
InChIInChI=1S/C19H23F6N3O5/c1-10(26-15(29)9-30-12-3-4-13(8-12)32-18(20,21)22)2-5-16-27-28-17(31-16)11-6-14(7-11)33-19(23,24)25/h11-14H,1-9H2,(H,26,29)/t11?,12-,13+,14?/m0/s1
InChIKeyRXPPACVOIQHIOK-YIFLHPOLSA-N
MW487.40 g/mol
LogP3.89
Rot. Bonds10

About N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide

N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide (PubChem CID 167268085) has the molecular formula C19H23F6N3O5 and a molecular weight of 487.40 g/mol. Its IUPAC name is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide.

Molecular Properties

Compound NameN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
PubChem CID167268085
Molecular FormulaC19H23F6N3O5
Molecular Weight487.40 g/mol
Exact Mass487.15
IUPAC NameN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)CO[C@H]1CC[C@@H](OC(F)(F)F)C1
InChIInChI=1S/C19H23F6N3O5/c1-10(26-15(29)9-30-12-3-4-13(8-12)32-18(20,21)22)2-5-16-27-28-17(31-16)11-6-14(7-11)33-19(23,24)25/h11-14H,1-9H2,(H,26,29)/t11?,12-,13+,14?/m0/s1
InChIKeyRXPPACVOIQHIOK-YIFLHPOLSA-N
XLogP3.89
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.40
LogP ≤ 53.89
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-[3-(trifluoromethoxy)phenoxy]acetamide
CID 167268926
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
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-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 167267260
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-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158649857
CID 174030837
CID 174030837
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
5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 142528056
(2R,4R)-6-chloro-4-hydroxy-N-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]but-3-enyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155263195
[(3R,6S)-6-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]oxan-3-yl]carbamic acid;hydrochloride
CID 155211535

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-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
The IUPAC name of 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) is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide.
What is the SMILES notation for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
The canonical SMILES for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)CO[C@H]1CC[C@@H](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-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
The InChIKey is RXPPACVOIQHIOK-YIFLHPOLSA-N. The full InChI is InChI=1S/C19H23F6N3O5/c1-10(26-15(29)9-30-12-3-4-13(8-12)32-18(20,21)22)2-5-16-27-28-17(31-16)11-6-14(7-11)33-19(23,24)25/h11-14H,1-9H2,(H,26,29)/t11?,12-,13+,14?/m0/s1.
What are the key properties of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide?
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide has a molecular weight of 487.40 g/mol, XLogP of 3.89, 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-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide is sourced from PubChem (CID 167268085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).