[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid

C8H7BN2O3 — CID 10219751

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C8H7BN2O3/c12-9(13)7-3-1-6(2-4-7)8-11-10-5-14-8/h1-5,12-13H
InChIKeyWXOMKINBRCKWNI-UHFFFAOYSA-N
MW189.97 g/mol
LogP-0.58
Rot. Bonds2

About [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid

[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid (PubChem CID 10219751) has the molecular formula C8H7BN2O3 and a molecular weight of 189.97 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid
PubChem CID10219751
Molecular FormulaC8H7BN2O3
Molecular Weight189.97 g/mol
Exact Mass190.05
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C8H7BN2O3/c12-9(13)7-3-1-6(2-4-7)8-11-10-5-14-8/h1-5,12-13H
InChIKeyWXOMKINBRCKWNI-UHFFFAOYSA-N
XLogP-0.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid (CID 10219751) is [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid is OB(O)c1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
The InChIKey is WXOMKINBRCKWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BN2O3/c12-9(13)7-3-1-6(2-4-7)8-11-10-5-14-8/h1-5,12-13H.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid has a molecular weight of 189.97 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid is sourced from PubChem (CID 10219751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).