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

C9H6BrNO2 — CID 854043

IUPAC4-bromo-2-(1,2-oxazol-5-yl)phenol
SMILESOc1ccc(Br)cc1-c1ccno1
InChIInChI=1S/C9H6BrNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKeyCZXKAQGBZPKRHU-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.81
Rot. Bonds1

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

4-bromo-2-(1,2-oxazol-5-yl)phenol (PubChem CID 854043) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 4-bromo-2-(1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1,2-oxazol-5-yl)phenol
PubChem CID854043
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name4-bromo-2-(1,2-oxazol-5-yl)phenol
SMILESOc1ccc(Br)cc1-c1ccno1
InChIInChI=1S/C9H6BrNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKeyCZXKAQGBZPKRHU-UHFFFAOYSA-N
XLogP2.81
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,2-oxazol-5-yl)phenol?
The IUPAC name of 4-bromo-2-(1,2-oxazol-5-yl)phenol (CID 854043) is 4-bromo-2-(1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 4-bromo-2-(1,2-oxazol-5-yl)phenol?
The canonical SMILES for 4-bromo-2-(1,2-oxazol-5-yl)phenol is Oc1ccc(Br)cc1-c1ccno1.
What is the InChIKey of 4-bromo-2-(1,2-oxazol-5-yl)phenol?
The InChIKey is CZXKAQGBZPKRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H.
What are the key properties of 4-bromo-2-(1,2-oxazol-5-yl)phenol?
4-bromo-2-(1,2-oxazol-5-yl)phenol has a molecular weight of 240.06 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 854043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).