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

C21H16Cl2F6N2O2S — CID 91205332

IUPAC4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSC1=C(c2ccc(C(=O)NCC(F)(F)F)c(C)c2)NOC1(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C21H16Cl2F6N2O2S/c1-10-5-11(3-4-15(10)18(32)30-9-19(24,25)26)16-17(34-2)20(33-31-16,21(27,28)29)12-6-13(22)8-14(23)7-12/h3-8,31H,9H2,1-2H3,(H,30,32)
InChIKeyBWRXSGNXBLYZCS-UHFFFAOYSA-N
MW545.33 g/mol
LogP6.62
Rot. Bonds5

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

4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 91205332) has the molecular formula C21H16Cl2F6N2O2S and a molecular weight of 545.33 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID91205332
Molecular FormulaC21H16Cl2F6N2O2S
Molecular Weight545.33 g/mol
Exact Mass544.02
IUPAC Name4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSC1=C(c2ccc(C(=O)NCC(F)(F)F)c(C)c2)NOC1(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C21H16Cl2F6N2O2S/c1-10-5-11(3-4-15(10)18(32)30-9-19(24,25)26)16-17(34-2)20(33-31-16,21(27,28)29)12-6-13(22)8-14(23)7-12/h3-8,31H,9H2,1-2H3,(H,30,32)
InChIKeyBWRXSGNXBLYZCS-UHFFFAOYSA-N
XLogP6.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.33
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 91379496
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-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide
CID 157351133
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
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91583660
4-[3-(2,6-dichloro-4-pyridinyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 56847178
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
N-(5-chloro-2-pyridinyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 90862528
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 91205332) is 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is CSC1=C(c2ccc(C(=O)NCC(F)(F)F)c(C)c2)NOC1(c1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is BWRXSGNXBLYZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2F6N2O2S/c1-10-5-11(3-4-15(10)18(32)30-9-19(24,25)26)16-17(34-2)20(33-31-16,21(27,28)29)12-6-13(22)8-14(23)7-12/h3-8,31H,9H2,1-2H3,(H,30,32).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
4-[5-(3,5-dichlorophenyl)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 545.33 g/mol, XLogP of 6.62, 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)-4-methylsulfanyl-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 91205332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).