3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine

C11H11BrN2O3 — CID 117481559

IUPAC3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Br)c(-c2cc(N)on2)c(OC)c1
InChIInChI=1S/C11H11BrN2O3/c1-15-6-3-7(12)11(9(4-6)16-2)8-5-10(13)17-14-8/h3-5H,13H2,1-2H3
InChIKeyGILBLWUBYHXFLU-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.70
Rot. Bonds3

About 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine

3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117481559) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117481559
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Br)c(-c2cc(N)on2)c(OC)c1
InChIInChI=1S/C11H11BrN2O3/c1-15-6-3-7(12)11(9(4-6)16-2)8-5-10(13)17-14-8/h3-5H,13H2,1-2H3
InChIKeyGILBLWUBYHXFLU-UHFFFAOYSA-N
XLogP2.70
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
CID 136931170
3-(2,7-dimethoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117428855
2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
CID 136966354
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414895
3-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117498194
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117398617
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 117481559) is 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine is COc1cc(Br)c(-c2cc(N)on2)c(OC)c1.
What is the InChIKey of 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is GILBLWUBYHXFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-15-6-3-7(12)11(9(4-6)16-2)8-5-10(13)17-14-8/h3-5H,13H2,1-2H3.
What are the key properties of 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine?
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 299.12 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117481559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).