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

C11H11BrN2O3 — CID 3407261

IUPAC3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)c(OC)cc1Br
InChIInChI=1S/C11H11BrN2O3/c1-15-9-4-7(12)10(16-2)3-6(9)8-5-11(13)17-14-8/h3-5H,13H2,1-2H3
InChIKeyHNADGZSYTFILEF-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.70
Rot. Bonds3

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

3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 3407261) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID3407261
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)c(OC)cc1Br
InChIInChI=1S/C11H11BrN2O3/c1-15-9-4-7(12)10(16-2)3-6(9)8-5-11(13)17-14-8/h3-5H,13H2,1-2H3
InChIKeyHNADGZSYTFILEF-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

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Related Compounds

3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428576
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117383350
2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
CID 136966354

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 3407261) is 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cc(N)on2)c(OC)cc1Br.
What is the InChIKey of 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is HNADGZSYTFILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-15-9-4-7(12)10(16-2)3-6(9)8-5-11(13)17-14-8/h3-5H,13H2,1-2H3.
What are the key properties of 3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
3-(4-bromo-2,5-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-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3407261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).