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

C21H19ClF4N2O4 — CID 137491718

IUPACN-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncc(-c4ccc(Cl)c(F)c4)o3)(C1)C2
InChIInChI=1S/C21H19ClF4N2O4/c22-14-2-1-11(3-15(14)23)16-6-27-18(31-16)19-8-20(9-19,10-19)28-17(29)7-30-12-4-13(5-12)32-21(24,25)26/h1-3,6,12-13H,4-5,7-10H2,(H,28,29)
InChIKeyHOUYMQCWXPEUIR-UHFFFAOYSA-N
MW474.84 g/mol
LogP4.51
Rot. Bonds7

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

N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (PubChem CID 137491718) has the molecular formula C21H19ClF4N2O4 and a molecular weight of 474.84 g/mol. Its IUPAC name is N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound NameN-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
PubChem CID137491718
Molecular FormulaC21H19ClF4N2O4
Molecular Weight474.84 g/mol
Exact Mass474.10
IUPAC NameN-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncc(-c4ccc(Cl)c(F)c4)o3)(C1)C2
InChIInChI=1S/C21H19ClF4N2O4/c22-14-2-1-11(3-15(14)23)16-6-27-18(31-16)19-8-20(9-19,10-19)28-17(29)7-30-12-4-13(5-12)32-21(24,25)26/h1-3,6,12-13H,4-5,7-10H2,(H,28,29)
InChIKeyHOUYMQCWXPEUIR-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (CID 137491718) is N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncc(-c4ccc(Cl)c(F)c4)o3)(C1)C2.
What is the InChIKey of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The InChIKey is HOUYMQCWXPEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF4N2O4/c22-14-2-1-11(3-15(14)23)16-6-27-18(31-16)19-8-20(9-19,10-19)28-17(29)7-30-12-4-13(5-12)32-21(24,25)26/h1-3,6,12-13H,4-5,7-10H2,(H,28,29).
What are the key properties of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-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-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 137491718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).