3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol

C11H11BrN2O2 — CID 117454901

IUPAC3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(-c2cc(N)no2)c(C)c1O
InChIInChI=1S/C11H11BrN2O2/c1-5-3-7(12)10(6(2)11(5)15)8-4-9(13)14-16-8/h3-4,15H,1-2H3,(H2,13,14)
InChIKeyZEXJWIFTYQPQTP-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.01
Rot. Bonds1

About 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol

3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol (PubChem CID 117454901) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
PubChem CID117454901
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(-c2cc(N)no2)c(C)c1O
InChIInChI=1S/C11H11BrN2O2/c1-5-3-7(12)10(6(2)11(5)15)8-4-9(13)14-16-8/h3-4,15H,1-2H3,(H2,13,14)
InChIKeyZEXJWIFTYQPQTP-UHFFFAOYSA-N
XLogP3.01
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol
CID 136986604
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol
CID 136928674
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
CID 117453130
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
4-(3-amino-1,2-oxazol-5-yl)-6-bromo-1,3-benzodioxol-5-ol
CID 136966346

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol?
The IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol (CID 117454901) is 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol.
What is the SMILES notation for 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol?
The canonical SMILES for 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol is Cc1cc(Br)c(-c2cc(N)no2)c(C)c1O.
What is the InChIKey of 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol?
The InChIKey is ZEXJWIFTYQPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-5-3-7(12)10(6(2)11(5)15)8-4-9(13)14-16-8/h3-4,15H,1-2H3,(H2,13,14).
What are the key properties of 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol?
3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol has a molecular weight of 283.12 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol is sourced from PubChem (CID 117454901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).