4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole

C8H9N3O — CID 173053619

IUPAC4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole
SMILESCc1conc1-c1cn(C)cn1
InChIInChI=1S/C8H9N3O/c1-6-4-12-10-8(6)7-3-11(2)5-9-7/h3-5H,1-2H3
InChIKeyVMJLDTPWLQMIFY-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.38
Rot. Bonds1

About 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole

4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole (PubChem CID 173053619) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole
PubChem CID173053619
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole
SMILESCc1conc1-c1cn(C)cn1
InChIInChI=1S/C8H9N3O/c1-6-4-12-10-8(6)7-3-11(2)5-9-7/h3-5H,1-2H3
InChIKeyVMJLDTPWLQMIFY-UHFFFAOYSA-N
XLogP1.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-(1-methylimidazol-4-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 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole?
The IUPAC name of 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole (CID 173053619) is 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole?
The canonical SMILES for 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole is Cc1conc1-c1cn(C)cn1.
What is the InChIKey of 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole?
The InChIKey is VMJLDTPWLQMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-4-12-10-8(6)7-3-11(2)5-9-7/h3-5H,1-2H3.
What are the key properties of 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole?
4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methylimidazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 173053619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).