[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid

C15H12BNO4 — CID 136633818

IUPAC[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cc(-c3ccc(O)cc3)on2)cc1
InChIInChI=1S/C15H12BNO4/c18-13-7-3-11(4-8-13)15-9-14(17-21-15)10-1-5-12(6-2-10)16(19)20/h1-9,18-20H
InChIKeyDBDMYBJZGVZLNU-UHFFFAOYSA-N
MW281.08 g/mol
LogP1.39
Rot. Bonds3

About [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid

[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid (PubChem CID 136633818) has the molecular formula C15H12BNO4 and a molecular weight of 281.08 g/mol. Its IUPAC name is [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid
PubChem CID136633818
Molecular FormulaC15H12BNO4
Molecular Weight281.08 g/mol
Exact Mass281.09
IUPAC Name[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cc(-c3ccc(O)cc3)on2)cc1
InChIInChI=1S/C15H12BNO4/c18-13-7-3-11(4-8-13)15-9-14(17-21-15)10-1-5-12(6-2-10)16(19)20/h1-9,18-20H
InChIKeyDBDMYBJZGVZLNU-UHFFFAOYSA-N
XLogP1.39
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 51.39
H-Bond Donors ≤ 53
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-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid?
The IUPAC name of [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid (CID 136633818) is [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid.
What is the SMILES notation for [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid?
The canonical SMILES for [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid is OB(O)c1ccc(-c2cc(-c3ccc(O)cc3)on2)cc1.
What is the InChIKey of [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid?
The InChIKey is DBDMYBJZGVZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BNO4/c18-13-7-3-11(4-8-13)15-9-14(17-21-15)10-1-5-12(6-2-10)16(19)20/h1-9,18-20H.
What are the key properties of [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid?
[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid has a molecular weight of 281.08 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid is sourced from PubChem (CID 136633818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).