4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C21H18Cl2F3N3O3 — CID 25144456

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C21H18Cl2F3N3O3/c1-11-5-12(3-4-16(11)19(31)28-10-18(30)27-2)17-9-20(32-29-17,21(24,25)26)13-6-14(22)8-15(23)7-13/h3-8H,9-10H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGYIRBEOZDISTFG-UHFFFAOYSA-N
MW488.29 g/mol
LogP4.36
Rot. Bonds5

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

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 25144456) has the molecular formula C21H18Cl2F3N3O3 and a molecular weight of 488.29 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID25144456
Molecular FormulaC21H18Cl2F3N3O3
Molecular Weight488.29 g/mol
Exact Mass487.07
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C21H18Cl2F3N3O3/c1-11-5-12(3-4-16(11)19(31)28-10-18(30)27-2)17-9-20(32-29-17,21(24,25)26)13-6-14(22)8-15(23)7-13/h3-8H,9-10H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGYIRBEOZDISTFG-UHFFFAOYSA-N
XLogP4.36
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.29
LogP ≤ 54.36
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-[2-(methylamino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 25144456) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is GYIRBEOZDISTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F3N3O3/c1-11-5-12(3-4-16(11)19(31)28-10-18(30)27-2)17-9-20(32-29-17,21(24,25)26)13-6-14(22)8-15(23)7-13/h3-8H,9-10H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 488.29 g/mol, XLogP of 4.36, 5 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-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 25144456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).