2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol

C11H10BrNO2 — CID 115049858

IUPAC2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol
SMILESCc1nc(-c2ccc(Br)c(O)c2)c(C)o1
InChIInChI=1S/C11H10BrNO2/c1-6-11(13-7(2)15-6)8-3-4-9(12)10(14)5-8/h3-5,14H,1-2H3
InChIKeyHCGXNMZXOLYNES-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.43
Rot. Bonds1

About 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol

2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol (PubChem CID 115049858) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol
PubChem CID115049858
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol
SMILESCc1nc(-c2ccc(Br)c(O)c2)c(C)o1
InChIInChI=1S/C11H10BrNO2/c1-6-11(13-7(2)15-6)8-3-4-9(12)10(14)5-8/h3-5,14H,1-2H3
InChIKeyHCGXNMZXOLYNES-UHFFFAOYSA-N
XLogP3.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol?
The IUPAC name of 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol (CID 115049858) is 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol is Cc1nc(-c2ccc(Br)c(O)c2)c(C)o1.
What is the InChIKey of 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol?
The InChIKey is HCGXNMZXOLYNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6-11(13-7(2)15-6)8-3-4-9(12)10(14)5-8/h3-5,14H,1-2H3.
What are the key properties of 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol?
2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol has a molecular weight of 268.11 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 115049858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).