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

C20H10ClF6N3O — CID 25132120

IUPAC3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-n2cnc(-c3c(-c4ccc(Cl)cc4)noc3C(F)(F)F)c2)cc1
InChIInChI=1S/C20H10ClF6N3O/c21-13-5-1-11(2-6-13)17-16(18(31-29-17)20(25,26)27)15-9-30(10-28-15)14-7-3-12(4-8-14)19(22,23)24/h1-10H
InChIKeyUQSWINZYTGINRE-UHFFFAOYSA-N
MW457.76 g/mol
LogP6.89
Rot. Bonds3

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

3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole (PubChem CID 25132120) has the molecular formula C20H10ClF6N3O and a molecular weight of 457.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
PubChem CID25132120
Molecular FormulaC20H10ClF6N3O
Molecular Weight457.76 g/mol
Exact Mass457.04
IUPAC Name3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-n2cnc(-c3c(-c4ccc(Cl)cc4)noc3C(F)(F)F)c2)cc1
InChIInChI=1S/C20H10ClF6N3O/c21-13-5-1-11(2-6-13)17-16(18(31-29-17)20(25,26)27)15-9-30(10-28-15)14-7-3-12(4-8-14)19(22,23)24/h1-10H
InChIKeyUQSWINZYTGINRE-UHFFFAOYSA-N
XLogP6.89
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 25130781
3-phenyl-4-(1-phenylimidazol-4-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 25130449
5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 23725748
6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid
CID 67364083
3-(4-fluorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 23725803
4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
CID 67419925
4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 23725269
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725483
1-[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 67362402
3-(4-chlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 20873369
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole (CID 25132120) is 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole is FC(F)(F)c1ccc(-n2cnc(-c3c(-c4ccc(Cl)cc4)noc3C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The InChIKey is UQSWINZYTGINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF6N3O/c21-13-5-1-11(2-6-13)17-16(18(31-29-17)20(25,26)27)15-9-30(10-28-15)14-7-3-12(4-8-14)19(22,23)24/h1-10H.
What are the key properties of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole has a molecular weight of 457.76 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 25132120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).