3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

C11H11BrN2O2 — CID 117454853

IUPAC3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(C)cc(-c2cc(N)on2)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-3-7(8-5-10(13)16-14-8)11(12)9(4-6)15-2/h3-5H,13H2,1-2H3
InChIKeyOJALOZFVUPKOFY-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.00
Rot. Bonds2

About 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117454853) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117454853
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(C)cc(-c2cc(N)on2)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-3-7(8-5-10(13)16-14-8)11(12)9(4-6)15-2/h3-5H,13H2,1-2H3
InChIKeyOJALOZFVUPKOFY-UHFFFAOYSA-N
XLogP3.00
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117493897
3-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
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-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 117454853) is 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is COc1cc(C)cc(-c2cc(N)on2)c1Br.
What is the InChIKey of 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is OJALOZFVUPKOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6-3-7(8-5-10(13)16-14-8)11(12)9(4-6)15-2/h3-5H,13H2,1-2H3.
What are the key properties of 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 283.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117454853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).