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

C21H19ClF3N3O2 — CID 46426254

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(C(F)(F)F)c1
InChIInChI=1S/C21H19ClF3N3O2/c1-28(2)15-7-8-17(16(11-15)21(23,24)25)27-19(29)9-10-20-26-12-18(30-20)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,27,29)
InChIKeyLHXSZBIRXCTXCZ-UHFFFAOYSA-N
MW437.85 g/mol
LogP5.65
Rot. Bonds6

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 46426254) has the molecular formula C21H19ClF3N3O2 and a molecular weight of 437.85 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
PubChem CID46426254
Molecular FormulaC21H19ClF3N3O2
Molecular Weight437.85 g/mol
Exact Mass437.11
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(C(F)(F)F)c1
InChIInChI=1S/C21H19ClF3N3O2/c1-28(2)15-7-8-17(16(11-15)21(23,24)25)27-19(29)9-10-20-26-12-18(30-20)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,27,29)
InChIKeyLHXSZBIRXCTXCZ-UHFFFAOYSA-N
XLogP5.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.85
LogP ≤ 55.65
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
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55672045
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 108798031
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46525988
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17497153
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 43068458
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 16599585

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (CID 46426254) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is CN(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LHXSZBIRXCTXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2/c1-28(2)15-7-8-17(16(11-15)21(23,24)25)27-19(29)9-10-20-26-12-18(30-20)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,27,29).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 437.85 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 46426254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).