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

C8H10N4O — CID 59796379

IUPAC3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc(C)n2C)no1
InChIInChI=1S/C8H10N4O/c1-5-4-7(11-13-5)8-10-9-6(2)12(8)3/h4H,1-3H3
InChIKeyURUFLDUBWQDOIW-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.09
Rot. Bonds1

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

3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole (PubChem CID 59796379) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole
PubChem CID59796379
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc(C)n2C)no1
InChIInChI=1S/C8H10N4O/c1-5-4-7(11-13-5)8-10-9-6(2)12(8)3/h4H,1-3H3
InChIKeyURUFLDUBWQDOIW-UHFFFAOYSA-N
XLogP1.09
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-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 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole (CID 59796379) is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole is Cc1cc(-c2nnc(C)n2C)no1.
What is the InChIKey of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole?
The InChIKey is URUFLDUBWQDOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-4-7(11-13-5)8-10-9-6(2)12(8)3/h4H,1-3H3.
What are the key properties of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole?
3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole has a molecular weight of 178.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 59796379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).