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

C6H8ClNO2 — CID 11105661

IUPAC4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole
SMILESCOc1noc(C)c1CCl
InChIInChI=1S/C6H8ClNO2/c1-4-5(3-7)6(9-2)8-10-4/h3H2,1-2H3
InChIKeyAIAXEKOVIPQUEY-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.73
Rot. Bonds2

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

4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole (PubChem CID 11105661) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole
PubChem CID11105661
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole
SMILESCOc1noc(C)c1CCl
InChIInChI=1S/C6H8ClNO2/c1-4-5(3-7)6(9-2)8-10-4/h3H2,1-2H3
InChIKeyAIAXEKOVIPQUEY-UHFFFAOYSA-N
XLogP1.73
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-3-methoxy-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 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole (CID 11105661) is 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole is COc1noc(C)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole?
The InChIKey is AIAXEKOVIPQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c1-4-5(3-7)6(9-2)8-10-4/h3H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole?
4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole has a molecular weight of 161.59 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-methoxy-5-methyl-1,2-oxazole is sourced from PubChem (CID 11105661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).