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

C15H11F3N2OS — CID 139328680

IUPAC3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1ccsc1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H11F3N2OS/c1-9-6-7-22-12(9)8-10-2-4-11(5-3-10)13-19-14(21-20-13)15(16,17)18/h2-7H,8H2,1H3
InChIKeyXEHMTHYRHKPPBF-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.72
Rot. Bonds3

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

3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 139328680) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID139328680
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1ccsc1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H11F3N2OS/c1-9-6-7-22-12(9)8-10-2-4-11(5-3-10)13-19-14(21-20-13)15(16,17)18/h2-7H,8H2,1H3
InChIKeyXEHMTHYRHKPPBF-UHFFFAOYSA-N
XLogP4.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-(2-thienylmethyl)methanamine
CID 16191033
3-(4-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 784811
3-[(4-Methylphenyl)methyl]-5-(thiophen-3-yl)-1,2,4-oxadiazole
CID 6539917
5-[(4-Methylphenyl)methyl]-3-(thiophen-3-yl)-1,2,4-oxadiazole
CID 6539919
3-(4-Methylphenyl)-5-[(phenylthio)methyl]-1,2,4-oxadiazole
CID 894206
3-(3-Methylphenyl)-5-[(phenylthio)methyl]-1,2,4-oxadiazole
CID 894807
5-{[(4-Methylphenyl)thio]methyl}-3-phenyl-1,2,4-oxadiazole
CID 974709
N-(4-ethylbenzyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide
CID 9550880
5-(4-Methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2808329
2-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}thiophene
CID 3467251
5-(3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl)-1-(2-(trifluoromethyl)benzyl)pyridin-2(1H)-one
CID 71794433
5-[(3,5-Difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 2740948

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 139328680) is 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Cc1ccsc1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is XEHMTHYRHKPPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c1-9-6-7-22-12(9)8-10-2-4-11(5-3-10)13-19-14(21-20-13)15(16,17)18/h2-7H,8H2,1H3.
What are the key properties of 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 324.33 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methylthiophen-2-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139328680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).