3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate

C21H14ClF3N3O4- — CID 154064021

IUPAC3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate
SMILESO=C([O-])c1cc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)no1
InChIInChI=1S/C21H15ClF3N3O4/c22-14-4-6-16(7-5-14)28-17(12-2-1-3-13(8-12)21(23,24)25)11-27(20(28)31)10-15-9-18(19(29)30)32-26-15/h1-9,17H,10-11H2,(H,29,30)/p-1
InChIKeySJQVNTQOSPXJBN-UHFFFAOYSA-M
MW464.81 g/mol
LogP3.89
Rot. Bonds5

About 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate

3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate (PubChem CID 154064021) has the molecular formula C21H14ClF3N3O4- and a molecular weight of 464.81 g/mol. Its IUPAC name is 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate
PubChem CID154064021
Molecular FormulaC21H14ClF3N3O4-
Molecular Weight464.81 g/mol
Exact Mass464.06
IUPAC Name3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate
SMILESO=C([O-])c1cc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)no1
InChIInChI=1S/C21H15ClF3N3O4/c22-14-4-6-16(7-5-14)28-17(12-2-1-3-13(8-12)21(23,24)25)11-27(20(28)31)10-15-9-18(19(29)30)32-26-15/h1-9,17H,10-11H2,(H,29,30)/p-1
InChIKeySJQVNTQOSPXJBN-UHFFFAOYSA-M
XLogP3.89
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.81
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705803
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68704352
2-[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-propylacetamide
CID 68703664
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68703968
(4S)-3-(4-chlorophenyl)-1-[3-[4-[hydroxy(methyl)amino]piperazin-1-yl]propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 162599914
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702907
2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59486067
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate (CID 154064021) is 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate is O=C([O-])c1cc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)no1.
What is the InChIKey of 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate?
The InChIKey is SJQVNTQOSPXJBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15ClF3N3O4/c22-14-4-6-16(7-5-14)28-17(12-2-1-3-13(8-12)21(23,24)25)11-27(20(28)31)10-15-9-18(19(29)30)32-26-15/h1-9,17H,10-11H2,(H,29,30)/p-1.
What are the key properties of 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate?
3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate has a molecular weight of 464.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 154064021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).