5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole

C20H12BrClF3N3O — CID 90424321

IUPAC5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(Br)cc1-c1ocnc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H12BrClF3N3O/c1-11-27-17(20(23,24)25)9-28(11)16-7-4-13(21)8-15(16)19-18(26-10-29-19)12-2-5-14(22)6-3-12/h2-10H,1H3
InChIKeyJUQXFCGWHVMILA-UHFFFAOYSA-N
MW482.69 g/mol
LogP6.94
Rot. Bonds3

About 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole

5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole (PubChem CID 90424321) has the molecular formula C20H12BrClF3N3O and a molecular weight of 482.69 g/mol. Its IUPAC name is 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole
PubChem CID90424321
Molecular FormulaC20H12BrClF3N3O
Molecular Weight482.69 g/mol
Exact Mass480.98
IUPAC Name5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(Br)cc1-c1ocnc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H12BrClF3N3O/c1-11-27-17(20(23,24)25)9-28(11)16-7-4-13(21)8-15(16)19-18(26-10-29-19)12-2-5-14(22)6-3-12/h2-10H,1H3
InChIKeyJUQXFCGWHVMILA-UHFFFAOYSA-N
XLogP6.94
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole (CID 90424321) is 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole is Cc1nc(C(F)(F)F)cn1-c1ccc(Br)cc1-c1ocnc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is JUQXFCGWHVMILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClF3N3O/c1-11-27-17(20(23,24)25)9-28(11)16-7-4-13(21)8-15(16)19-18(26-10-29-19)12-2-5-14(22)6-3-12/h2-10H,1H3.
What are the key properties of 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole?
5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 482.69 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 90424321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).