N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

C21H19ClF4N2O4 — CID 137491559

IUPACN-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3cc(-c4ccc(Cl)cc4F)no3)(C1)C2
InChIInChI=1S/C21H19ClF4N2O4/c22-11-1-2-14(15(23)3-11)16-6-17(32-28-16)19-8-20(9-19,10-19)27-18(29)7-30-12-4-13(5-12)31-21(24,25)26/h1-3,6,12-13H,4-5,7-10H2,(H,27,29)
InChIKeyUWLZNXPARFVUAL-UHFFFAOYSA-N
MW474.84 g/mol
LogP4.51
Rot. Bonds7

About N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (PubChem CID 137491559) has the molecular formula C21H19ClF4N2O4 and a molecular weight of 474.84 g/mol. Its IUPAC name is N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
PubChem CID137491559
Molecular FormulaC21H19ClF4N2O4
Molecular Weight474.84 g/mol
Exact Mass474.10
IUPAC NameN-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3cc(-c4ccc(Cl)cc4F)no3)(C1)C2
InChIInChI=1S/C21H19ClF4N2O4/c22-11-1-2-14(15(23)3-11)16-6-17(32-28-16)19-8-20(9-19,10-19)27-18(29)7-30-12-4-13(5-12)31-21(24,25)26/h1-3,6,12-13H,4-5,7-10H2,(H,27,29)
InChIKeyUWLZNXPARFVUAL-UHFFFAOYSA-N
XLogP4.51
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 137491613
N-[3-[4-(4-chloro-2,3-difluorophenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 137480196
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491554
(2S,4R)-6-chloro-7-fluoro-4-hydroxy-N-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 175728121
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491401
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 155262052
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 155634440
tert-butyl N-[3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 155634439
2-(4-chloro-3-fluorophenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]triazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163279672
(2R)-6-chloro-4-oxo-N-[5-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-2-bicyclo[2.2.1]heptanyl]-2,3-dihydrochromene-2-carboxamide
CID 155254373
3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 166508312
2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155261940

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (CID 137491559) is N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3cc(-c4ccc(Cl)cc4F)no3)(C1)C2.
What is the InChIKey of N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The InChIKey is UWLZNXPARFVUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF4N2O4/c22-11-1-2-14(15(23)3-11)16-6-17(32-28-16)19-8-20(9-19,10-19)27-18(29)7-30-12-4-13(5-12)31-21(24,25)26/h1-3,6,12-13H,4-5,7-10H2,(H,27,29).
What are the key properties of N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide has a molecular weight of 474.84 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 137491559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).