5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

C14H12F3N5OS — CID 10021072

IUPAC5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(CSc3nnc(C(F)(F)F)n3C)no2)c1
InChIInChI=1S/C14H12F3N5OS/c1-8-4-3-5-9(6-8)11-18-10(21-23-11)7-24-13-20-19-12(22(13)2)14(15,16)17/h3-6H,7H2,1-2H3
InChIKeyMKPLRZVBULASCK-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.48
Rot. Bonds4

About 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 10021072) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID10021072
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC Name5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(CSc3nnc(C(F)(F)F)n3C)no2)c1
InChIInChI=1S/C14H12F3N5OS/c1-8-4-3-5-9(6-8)11-18-10(21-23-11)7-24-13-20-19-12(22(13)2)14(15,16)17/h3-6H,7H2,1-2H3
InChIKeyMKPLRZVBULASCK-UHFFFAOYSA-N
XLogP3.48
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 10021072) is 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is Cc1cccc(-c2nc(CSc3nnc(C(F)(F)F)n3C)no2)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is MKPLRZVBULASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c1-8-4-3-5-9(6-8)11-18-10(21-23-11)7-24-13-20-19-12(22(13)2)14(15,16)17/h3-6H,7H2,1-2H3.
What are the key properties of 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 355.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10021072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).