4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide

C23H21Cl2F3N2O3 — CID 157351133

IUPAC4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide
SMILESCc1cc(C2=CC(C)(c3cc(Cl)cc(Cl)c3)ON2)ccc1C(=O)NCC(=O)CCC(F)(F)F
InChIInChI=1S/C23H21Cl2F3N2O3/c1-13-7-14(3-4-19(13)21(32)29-12-18(31)5-6-23(26,27)28)20-11-22(2,33-30-20)15-8-16(24)10-17(25)9-15/h3-4,7-11,30H,5-6,12H2,1-2H3,(H,29,32)
InChIKeyGVFBSAASZLOFKN-UHFFFAOYSA-N
MW501.33 g/mol
LogP5.73
Rot. Bonds7

About 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide

4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide (PubChem CID 157351133) has the molecular formula C23H21Cl2F3N2O3 and a molecular weight of 501.33 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide
PubChem CID157351133
Molecular FormulaC23H21Cl2F3N2O3
Molecular Weight501.33 g/mol
Exact Mass500.09
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide
SMILESCc1cc(C2=CC(C)(c3cc(Cl)cc(Cl)c3)ON2)ccc1C(=O)NCC(=O)CCC(F)(F)F
InChIInChI=1S/C23H21Cl2F3N2O3/c1-13-7-14(3-4-19(13)21(32)29-12-18(31)5-6-23(26,27)28)20-11-22(2,33-30-20)15-8-16(24)10-17(25)9-15/h3-4,7-11,30H,5-6,12H2,1-2H3,(H,29,32)
InChIKeyGVFBSAASZLOFKN-UHFFFAOYSA-N
XLogP5.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.33
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-2H-1,2-oxazol-3-yl]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91583660
N-(5-chloro-2-pyridinyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 90862528
1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]-3-methylbutan-1-one
CID 91453524
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
CID 123746720
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2-methyl-3-oxo-1,2-oxazolidin-4-yl)benzamide
CID 123629509
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
N-acetyl-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 91149497
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-hydroxy-N',2-dimethylbenzenecarboximidamide
CID 91422167
N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 123804618
5-(3,5-dichlorophenyl)-3-(3-iodo-4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91546984
4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
CID 58182787

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide?
The IUPAC name of 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) is 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide is Cc1cc(C2=CC(C)(c3cc(Cl)cc(Cl)c3)ON2)ccc1C(=O)NCC(=O)CCC(F)(F)F.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide?
The InChIKey is GVFBSAASZLOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2F3N2O3/c1-13-7-14(3-4-19(13)21(32)29-12-18(31)5-6-23(26,27)28)20-11-22(2,33-30-20)15-8-16(24)10-17(25)9-15/h3-4,7-11,30H,5-6,12H2,1-2H3,(H,29,32).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide?
4-[5-(3,5-dichlorophenyl)-5-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide has a molecular weight of 501.33 g/mol, XLogP of 5.73, 7 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-methyl-2H-1,2-oxazol-3-yl]-2-methyl-N-(5,5,5-trifluoro-2-oxopentyl)benzamide is sourced from PubChem (CID 157351133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).