1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one

C23H21ClF3N3O3 — CID 118052669

IUPAC1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one
SMILESCc1cc(Cl)cc(C2(C)CC(c3ccc(C(=O)N4CNC(=O)C4)c(CC(F)(F)F)c3)=NO2)c1
InChIInChI=1S/C23H21ClF3N3O3/c1-13-5-16(8-17(24)6-13)22(2)10-19(29-33-22)14-3-4-18(15(7-14)9-23(25,26)27)21(32)30-11-20(31)28-12-30/h3-8H,9-12H2,1-2H3,(H,28,31)
InChIKeyJUUQHXVYIBMCHL-UHFFFAOYSA-N
MW479.89 g/mol
LogP4.32
Rot. Bonds4

About 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one

1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one (PubChem CID 118052669) has the molecular formula C23H21ClF3N3O3 and a molecular weight of 479.89 g/mol. Its IUPAC name is 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one
PubChem CID118052669
Molecular FormulaC23H21ClF3N3O3
Molecular Weight479.89 g/mol
Exact Mass479.12
IUPAC Name1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one
SMILESCc1cc(Cl)cc(C2(C)CC(c3ccc(C(=O)N4CNC(=O)C4)c(CC(F)(F)F)c3)=NO2)c1
InChIInChI=1S/C23H21ClF3N3O3/c1-13-5-16(8-17(24)6-13)22(2)10-19(29-33-22)14-3-4-18(15(7-14)9-23(25,26)27)21(32)30-11-20(31)28-12-30/h3-8H,9-12H2,1-2H3,(H,28,31)
InChIKeyJUUQHXVYIBMCHL-UHFFFAOYSA-N
XLogP4.32
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.89
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoic acid
CID 118052673
1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]imidazolidin-4-one;1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-3-(methylsulfanylmethyl)imidazolidin-4-one;chloro(methylsulfanyl)methane
CID 161321375
4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118052613
4-[2-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-oxoethyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118052654
1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 118046652
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 149219857
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
methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 58338620
1-[3-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methoxyethanone
CID 58079789
1-[3-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]butan-1-one
CID 58079756
dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione
CID 157315930
[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 118053499

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one?
The IUPAC name of 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one (CID 118052669) is 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one.
What is the SMILES notation for 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one?
The canonical SMILES for 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one is Cc1cc(Cl)cc(C2(C)CC(c3ccc(C(=O)N4CNC(=O)C4)c(CC(F)(F)F)c3)=NO2)c1.
What is the InChIKey of 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one?
The InChIKey is JUUQHXVYIBMCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O3/c1-13-5-16(8-17(24)6-13)22(2)10-19(29-33-22)14-3-4-18(15(7-14)9-23(25,26)27)21(32)30-11-20(31)28-12-30/h3-8H,9-12H2,1-2H3,(H,28,31).
What are the key properties of 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one?
1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one has a molecular weight of 479.89 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one is sourced from PubChem (CID 118052669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).