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

C13H8F3N3OS — CID 2744292

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cs1
InChIInChI=1S/C13H8F3N3OS/c1-7-17-10(6-21-7)11-18-12(20-19-11)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3
InChIKeyCAWLWNQPCBZQGV-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.19
Rot. Bonds2

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

3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2744292) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID2744292
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cs1
InChIInChI=1S/C13H8F3N3OS/c1-7-17-10(6-21-7)11-18-12(20-19-11)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3
InChIKeyCAWLWNQPCBZQGV-UHFFFAOYSA-N
XLogP4.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 2744292) is 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is CAWLWNQPCBZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c1-7-17-10(6-21-7)11-18-12(20-19-11)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 311.29 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2744292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).