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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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).