3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide

C21H18F5N3O2 — CID 16599585

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H18F5N3O2/c1-29(2)17-6-3-12(21(24,25)26)9-16(17)28-19(30)7-8-20-27-11-18(31-20)14-5-4-13(22)10-15(14)23/h3-6,9-11H,7-8H2,1-2H3,(H,28,30)
InChIKeyJHARKMCGDRERLP-UHFFFAOYSA-N
MW439.38 g/mol
LogP5.28
Rot. Bonds6

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 16599585) has the molecular formula C21H18F5N3O2 and a molecular weight of 439.38 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID16599585
Molecular FormulaC21H18F5N3O2
Molecular Weight439.38 g/mol
Exact Mass439.13
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H18F5N3O2/c1-29(2)17-6-3-12(21(24,25)26)9-16(17)28-19(30)7-8-20-27-11-18(31-20)14-5-4-13(22)10-15(14)23/h3-6,9-11H,7-8H2,1-2H3,(H,28,30)
InChIKeyJHARKMCGDRERLP-UHFFFAOYSA-N
XLogP5.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55499098
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 16591736
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 16593036
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide (CID 16599585) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JHARKMCGDRERLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N3O2/c1-29(2)17-6-3-12(21(24,25)26)9-16(17)28-19(30)7-8-20-27-11-18(31-20)14-5-4-13(22)10-15(14)23/h3-6,9-11H,7-8H2,1-2H3,(H,28,30).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 439.38 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 16599585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).