4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole

C6H8BrNO2 — CID 59648113

IUPAC4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole
SMILESCOCc1noc(C)c1Br
InChIInChI=1S/C6H8BrNO2/c1-4-6(7)5(3-9-2)8-10-4/h3H2,1-2H3
InChIKeyFKKLSNLBZGYPDM-UHFFFAOYSA-N
MW206.04 g/mol
LogP1.89
Rot. Bonds2

About 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole

4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole (PubChem CID 59648113) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole
PubChem CID59648113
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole
SMILESCOCc1noc(C)c1Br
InChIInChI=1S/C6H8BrNO2/c1-4-6(7)5(3-9-2)8-10-4/h3H2,1-2H3
InChIKeyFKKLSNLBZGYPDM-UHFFFAOYSA-N
XLogP1.89
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-(methoxymethyl)-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-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole?
The IUPAC name of 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole (CID 59648113) is 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole is COCc1noc(C)c1Br.
What is the InChIKey of 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole?
The InChIKey is FKKLSNLBZGYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c1-4-6(7)5(3-9-2)8-10-4/h3H2,1-2H3.
What are the key properties of 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole?
4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole has a molecular weight of 206.04 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 59648113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).