2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C21H16Cl2F6N2O2S — CID 71470636

IUPAC2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(C2=NO[C@@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C21H16Cl2F6N2O2S/c1-11-4-12(2-3-17(11)34-9-18(32)30-10-20(24,25)26)16-8-19(33-31-16,21(27,28)29)13-5-14(22)7-15(23)6-13/h2-7H,8-10H2,1H3,(H,30,32)/t19-/m0/s1
InChIKeyRPLGRVMROQZJRM-IBGZPJMESA-N
MW545.33 g/mol
LogP6.65
Rot. Bonds6

About 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71470636) has the molecular formula C21H16Cl2F6N2O2S and a molecular weight of 545.33 g/mol. Its IUPAC name is 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71470636
Molecular FormulaC21H16Cl2F6N2O2S
Molecular Weight545.33 g/mol
Exact Mass544.02
IUPAC Name2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(C2=NO[C@@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C21H16Cl2F6N2O2S/c1-11-4-12(2-3-17(11)34-9-18(32)30-10-20(24,25)26)16-8-19(33-31-16,21(27,28)29)13-5-14(22)7-15(23)6-13/h2-7H,8-10H2,1H3,(H,30,32)/t19-/m0/s1
InChIKeyRPLGRVMROQZJRM-IBGZPJMESA-N
XLogP6.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.33
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide 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

2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanylacetic acid
CID 86715965
tert-butyl 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanylacetate
CID 86715968
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-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide
CID 25216898
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
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
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-methylbenzoic acid;hydrochloride
CID 87260577
4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 156504241
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 147310125
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 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) is 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(C2=NO[C@@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RPLGRVMROQZJRM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16Cl2F6N2O2S/c1-11-4-12(2-3-17(11)34-9-18(32)30-10-20(24,25)26)16-8-19(33-31-16,21(27,28)29)13-5-14(22)7-15(23)6-13/h2-7H,8-10H2,1H3,(H,30,32)/t19-/m0/s1.
What are the key properties of 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 545.33 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71470636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).