4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide

C23H19Cl2F6N3O3 — CID 25216898

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C23H19Cl2F6N3O3/c1-11-5-13(3-4-17(11)20(36)33-12(2)19(35)32-10-22(26,27)28)18-9-21(37-34-18,23(29,30)31)14-6-15(24)8-16(25)7-14/h3-8,12H,9-10H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyLFIWCDYGTGWZQC-UHFFFAOYSA-N
MW570.32 g/mol
LogP5.68
Rot. Bonds6

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide (PubChem CID 25216898) has the molecular formula C23H19Cl2F6N3O3 and a molecular weight of 570.32 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide
PubChem CID25216898
Molecular FormulaC23H19Cl2F6N3O3
Molecular Weight570.32 g/mol
Exact Mass569.07
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C23H19Cl2F6N3O3/c1-11-5-13(3-4-17(11)20(36)33-12(2)19(35)32-10-22(26,27)28)18-9-21(37-34-18,23(29,30)31)14-6-15(24)8-16(25)7-14/h3-8,12H,9-10H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyLFIWCDYGTGWZQC-UHFFFAOYSA-N
XLogP5.68
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.32
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide with MolForge

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Related Compounds

N-(3-chloro-1,1,1-trifluoropropan-2-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 169004156
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(2R)-1-hydroxy-3-sulfanylpropan-2-yl]-2-methylbenzamide
CID 162589172
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethoxymethyl)benzamide
CID 25217023
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-propanoylbenzamide
CID 155456369
4-[5-(3,5-dichlorophenyl)-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazol-3-yl]-N'-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-2-methylbenzohydrazide
CID 178131410
2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71470636
4-[(5S)-5-(3-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 178047500
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 59563501
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;hydrochloride
CID 87260577
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224
N'-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-N-(2,2,2-trifluoroethyl)butanediamide
CID 169227821
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 25217250

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide (CID 25216898) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide?
The InChIKey is LFIWCDYGTGWZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F6N3O3/c1-11-5-13(3-4-17(11)20(36)33-12(2)19(35)32-10-22(26,27)28)18-9-21(37-34-18,23(29,30)31)14-6-15(24)8-16(25)7-14/h3-8,12H,9-10H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide has a molecular weight of 570.32 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 25216898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).