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

C11H11BrN2O2 — CID 136931070

IUPAC2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(O)c1-c1cc(N)on1
InChIInChI=1S/C11H11BrN2O2/c1-5-3-7(12)6(2)11(15)10(5)8-4-9(13)16-14-8/h3-4,15H,13H2,1-2H3
InChIKeyYVPWETUHZVUPQO-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.01
Rot. Bonds1

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

2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol (PubChem CID 136931070) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
PubChem CID136931070
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(O)c1-c1cc(N)on1
InChIInChI=1S/C11H11BrN2O2/c1-5-3-7(12)6(2)11(15)10(5)8-4-9(13)16-14-8/h3-4,15H,13H2,1-2H3
InChIKeyYVPWETUHZVUPQO-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol (CID 136931070) is 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol is Cc1cc(Br)c(C)c(O)c1-c1cc(N)on1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol?
The InChIKey is YVPWETUHZVUPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-5-3-7(12)6(2)11(15)10(5)8-4-9(13)16-14-8/h3-4,15H,13H2,1-2H3.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol?
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-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 2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol is sourced from PubChem (CID 136931070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).