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

C19H11ClF3N3OS — CID 46395018

IUPAC5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1
InChIInChI=1S/C19H11ClF3N3OS/c20-14-3-1-2-12(8-14)15-10-28-17(24-15)9-16-25-18(26-27-16)11-4-6-13(7-5-11)19(21,22)23/h1-8,10H,9H2
InChIKeyOJOMCGSCMIDEFI-UHFFFAOYSA-N
MW421.83 g/mol
LogP6.12
Rot. Bonds4

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

5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 46395018) has the molecular formula C19H11ClF3N3OS and a molecular weight of 421.83 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID46395018
Molecular FormulaC19H11ClF3N3OS
Molecular Weight421.83 g/mol
Exact Mass421.03
IUPAC Name5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1
InChIInChI=1S/C19H11ClF3N3OS/c20-14-3-1-2-12(8-14)15-10-28-17(24-15)9-16-25-18(26-27-16)11-4-6-13(7-5-11)19(21,22)23/h1-8,10H,9H2
InChIKeyOJOMCGSCMIDEFI-UHFFFAOYSA-N
XLogP6.12
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.83
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole
CID 50838707
3-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-4-yl]chromen-2-one
CID 46395015
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
5-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 53134251
5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53331379
5-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 50838837
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814
3-(4-bromophenyl)-5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,2,4-oxadiazole
CID 50838653
3-(4-methoxyphenyl)-5-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]methyl]-1,2,4-oxadiazole
CID 50838864
5-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 50838821
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 115043402
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542554

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 46395018) is 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is OJOMCGSCMIDEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3OS/c20-14-3-1-2-12(8-14)15-10-28-17(24-15)9-16-25-18(26-27-16)11-4-6-13(7-5-11)19(21,22)23/h1-8,10H,9H2.
What are the key properties of 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 421.83 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46395018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).