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

C12H13BrN2O2 — CID 136986604

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(Br)c(C)c(-c2cc(N)no2)c1O
InChIInChI=1S/C12H13BrN2O2/c1-5-6(2)12(16)10(7(3)11(5)13)8-4-9(14)15-17-8/h4,16H,1-3H3,(H2,14,15)
InChIKeyXGEIFDTYICGZHA-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.32
Rot. Bonds1

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

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol (PubChem CID 136986604) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol
PubChem CID136986604
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(Br)c(C)c(-c2cc(N)no2)c1O
InChIInChI=1S/C12H13BrN2O2/c1-5-6(2)12(16)10(7(3)11(5)13)8-4-9(14)15-17-8/h4,16H,1-3H3,(H2,14,15)
InChIKeyXGEIFDTYICGZHA-UHFFFAOYSA-N
XLogP3.32
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
CID 117454901
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
3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
CID 115112480
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
CID 136931071
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol
CID 136928675
5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine
CID 117430199
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol (CID 136986604) is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol is Cc1c(C)c(Br)c(C)c(-c2cc(N)no2)c1O.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol?
The InChIKey is XGEIFDTYICGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-5-6(2)12(16)10(7(3)11(5)13)8-4-9(14)15-17-8/h4,16H,1-3H3,(H2,14,15).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol?
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol has a molecular weight of 297.15 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol is sourced from PubChem (CID 136986604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).