4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole

C11H11ClN2O — CID 146272646

IUPAC4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(C)c2CCl)cn1
InChIInChI=1S/C11H11ClN2O/c1-7-3-4-9(6-13-7)11-10(5-12)8(2)15-14-11/h3-4,6H,5H2,1-2H3
InChIKeyQTDXVGLTGLEAHB-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.09
Rot. Bonds2

About 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole

4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole (PubChem CID 146272646) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
PubChem CID146272646
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(C)c2CCl)cn1
InChIInChI=1S/C11H11ClN2O/c1-7-3-4-9(6-13-7)11-10(5-12)8(2)15-14-11/h3-4,6H,5H2,1-2H3
InChIKeyQTDXVGLTGLEAHB-UHFFFAOYSA-N
XLogP3.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-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-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole (CID 146272646) is 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole is Cc1ccc(-c2noc(C)c2CCl)cn1.
What is the InChIKey of 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is QTDXVGLTGLEAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-3-4-9(6-13-7)11-10(5-12)8(2)15-14-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 222.67 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 146272646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).