N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

C20H19ClF4N2O4 — CID 167267344

IUPACN-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESC=C(CCc1ncc(-c2ccc(Cl)c(F)c2)o1)NC(=O)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C20H19ClF4N2O4/c1-11(27-18(28)10-29-13-7-14(8-13)31-20(23,24)25)2-5-19-26-9-17(30-19)12-3-4-15(21)16(22)6-12/h3-4,6,9,13-14H,1-2,5,7-8,10H2,(H,27,28)
InChIKeyXIABWFNZIBDFKM-UHFFFAOYSA-N
MW462.83 g/mol
LogP4.78
Rot. Bonds9

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

N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (PubChem CID 167267344) has the molecular formula C20H19ClF4N2O4 and a molecular weight of 462.83 g/mol. Its IUPAC name is N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound NameN-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
PubChem CID167267344
Molecular FormulaC20H19ClF4N2O4
Molecular Weight462.83 g/mol
Exact Mass462.10
IUPAC NameN-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESC=C(CCc1ncc(-c2ccc(Cl)c(F)c2)o1)NC(=O)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C20H19ClF4N2O4/c1-11(27-18(28)10-29-13-7-14(8-13)31-20(23,24)25)2-5-19-26-9-17(30-19)12-3-4-15(21)16(22)6-12/h3-4,6,9,13-14H,1-2,5,7-8,10H2,(H,27,28)
InChIKeyXIABWFNZIBDFKM-UHFFFAOYSA-N
XLogP4.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (CID 167267344) is N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is C=C(CCc1ncc(-c2ccc(Cl)c(F)c2)o1)NC(=O)COC1CC(OC(F)(F)F)C1.
What is the InChIKey of N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The InChIKey is XIABWFNZIBDFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N2O4/c1-11(27-18(28)10-29-13-7-14(8-13)31-20(23,24)25)2-5-19-26-9-17(30-19)12-3-4-15(21)16(22)6-12/h3-4,6,9,13-14H,1-2,5,7-8,10H2,(H,27,28).
What are the key properties of N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide has a molecular weight of 462.83 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 167267344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).