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

C11H11BrN2O2 — CID 136931065

IUPAC4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
SMILESCc1cc(O)c(Br)c(C)c1-c1cc(N)on1
InChIInChI=1S/C11H11BrN2O2/c1-5-3-8(15)11(12)6(2)10(5)7-4-9(13)16-14-7/h3-4,15H,13H2,1-2H3
InChIKeyPETYBANQTGBDCH-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.01
Rot. Bonds1

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

4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol (PubChem CID 136931065) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
PubChem CID136931065
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
SMILESCc1cc(O)c(Br)c(C)c1-c1cc(N)on1
InChIInChI=1S/C11H11BrN2O2/c1-5-3-8(15)11(12)6(2)10(5)7-4-9(13)16-14-7/h3-4,15H,13H2,1-2H3
InChIKeyPETYBANQTGBDCH-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 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol (CID 136931065) is 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol is Cc1cc(O)c(Br)c(C)c1-c1cc(N)on1.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol?
The InChIKey is PETYBANQTGBDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-5-3-8(15)11(12)6(2)10(5)7-4-9(13)16-14-7/h3-4,15H,13H2,1-2H3.
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol?
4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-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 4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol is sourced from PubChem (CID 136931065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).