5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole

C13H12N4OS — CID 1228907

IUPAC5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESCSc1nnc(-c2cc(C)on2)n1-c1ccccc1
InChIInChI=1S/C13H12N4OS/c1-9-8-11(16-18-9)12-14-15-13(19-2)17(12)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyZPYXUHSFXSQPJH-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.95
Rot. Bonds3

About 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole

5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole (PubChem CID 1228907) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole
PubChem CID1228907
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESCSc1nnc(-c2cc(C)on2)n1-c1ccccc1
InChIInChI=1S/C13H12N4OS/c1-9-8-11(16-18-9)12-14-15-13(19-2)17(12)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyZPYXUHSFXSQPJH-UHFFFAOYSA-N
XLogP2.95
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole 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-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole (CID 1228907) is 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole is CSc1nnc(-c2cc(C)on2)n1-c1ccccc1.
What is the InChIKey of 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
The InChIKey is ZPYXUHSFXSQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9-8-11(16-18-9)12-14-15-13(19-2)17(12)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole has a molecular weight of 272.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 1228907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).