[4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid

C10H10BNO4 — CID 141067980

IUPAC[4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCc2cnco2)cc1
InChIInChI=1S/C10H10BNO4/c13-11(14)8-1-3-9(4-2-8)15-6-10-5-12-7-16-10/h1-5,7,13-14H,6H2
InChIKeyPCIKAZSZVMTNMN-UHFFFAOYSA-N
MW219.01 g/mol
LogP-0.07
Rot. Bonds4

About [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid

[4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid (PubChem CID 141067980) has the molecular formula C10H10BNO4 and a molecular weight of 219.01 g/mol. Its IUPAC name is [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid
PubChem CID141067980
Molecular FormulaC10H10BNO4
Molecular Weight219.01 g/mol
Exact Mass219.07
IUPAC Name[4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCc2cnco2)cc1
InChIInChI=1S/C10H10BNO4/c13-11(14)8-1-3-9(4-2-8)15-6-10-5-12-7-16-10/h1-5,7,13-14H,6H2
InChIKeyPCIKAZSZVMTNMN-UHFFFAOYSA-N
XLogP-0.07
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid?
The IUPAC name of [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid (CID 141067980) is [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid.
What is the SMILES notation for [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid?
The canonical SMILES for [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid is OB(O)c1ccc(OCc2cnco2)cc1.
What is the InChIKey of [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid?
The InChIKey is PCIKAZSZVMTNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BNO4/c13-11(14)8-1-3-9(4-2-8)15-6-10-5-12-7-16-10/h1-5,7,13-14H,6H2.
What are the key properties of [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid?
[4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid has a molecular weight of 219.01 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-5-ylmethoxy)phenyl]boronic acid is sourced from PubChem (CID 141067980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).