4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol

C8H5BrN2O2 — CID 4019328

IUPAC4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(Br)cc1-c1nnco1
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-7(12)6(3-5)8-11-10-4-13-8/h1-4,12H
InChIKeyBBEBNKOFVVLLBN-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.20
Rot. Bonds1

About 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol

4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol (PubChem CID 4019328) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol
PubChem CID4019328
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(Br)cc1-c1nnco1
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-7(12)6(3-5)8-11-10-4-13-8/h1-4,12H
InChIKeyBBEBNKOFVVLLBN-UHFFFAOYSA-N
XLogP2.20
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol (CID 4019328) is 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol is Oc1ccc(Br)cc1-c1nnco1.
What is the InChIKey of 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is BBEBNKOFVVLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-5-1-2-7(12)6(3-5)8-11-10-4-13-8/h1-4,12H.
What are the key properties of 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol?
4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 241.04 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 4019328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).