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

C19H10ClF3N2OS — CID 3805872

IUPAC5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3csc(-c4ccc(Cl)cc4)n3)on2)c1
InChIInChI=1S/C19H10ClF3N2OS/c20-14-6-4-11(5-7-14)18-24-16(10-27-18)17-9-15(25-26-17)12-2-1-3-13(8-12)19(21,22)23/h1-10H
InChIKeyZTEYUKODMPMETL-UHFFFAOYSA-N
MW406.82 g/mol
LogP6.80
Rot. Bonds3

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

5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 3805872) has the molecular formula C19H10ClF3N2OS and a molecular weight of 406.82 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID3805872
Molecular FormulaC19H10ClF3N2OS
Molecular Weight406.82 g/mol
Exact Mass406.02
IUPAC Name5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3csc(-c4ccc(Cl)cc4)n3)on2)c1
InChIInChI=1S/C19H10ClF3N2OS/c20-14-6-4-11(5-7-14)18-24-16(10-27-18)17-9-15(25-26-17)12-2-1-3-13(8-12)19(21,22)23/h1-10H
InChIKeyZTEYUKODMPMETL-UHFFFAOYSA-N
XLogP6.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.82
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole (CID 3805872) is 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole is FC(F)(F)c1cccc(-c2cc(-c3csc(-c4ccc(Cl)cc4)n3)on2)c1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is ZTEYUKODMPMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2OS/c20-14-6-4-11(5-7-14)18-24-16(10-27-18)17-9-15(25-26-17)12-2-1-3-13(8-12)19(21,22)23/h1-10H.
What are the key properties of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 406.82 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 3805872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).