[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid

C13H11BN2O5 — CID 123335106

IUPAC[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid
SMILESOB(O)c1ccc(OCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C13H11BN2O5/c17-14(18)9-3-5-10(6-4-9)20-8-12-15-16-13(21-12)11-2-1-7-19-11/h1-7,17-18H,8H2
InChIKeyPDZVOPWUYZUKAP-UHFFFAOYSA-N
MW286.05 g/mol
LogP0.59
Rot. Bonds5

About [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid

[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid (PubChem CID 123335106) has the molecular formula C13H11BN2O5 and a molecular weight of 286.05 g/mol. Its IUPAC name is [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid
PubChem CID123335106
Molecular FormulaC13H11BN2O5
Molecular Weight286.05 g/mol
Exact Mass286.08
IUPAC Name[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid
SMILESOB(O)c1ccc(OCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C13H11BN2O5/c17-14(18)9-3-5-10(6-4-9)20-8-12-15-16-13(21-12)11-2-1-7-19-11/h1-7,17-18H,8H2
InChIKeyPDZVOPWUYZUKAP-UHFFFAOYSA-N
XLogP0.59
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]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

Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
CID 9139477
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate
CID 8925453
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 8533570
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977889
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate
CID 7569541
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82158215
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 7885551

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid?
The IUPAC name of [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid (CID 123335106) is [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid.
What is the SMILES notation for [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid?
The canonical SMILES for [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid is OB(O)c1ccc(OCc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid?
The InChIKey is PDZVOPWUYZUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BN2O5/c17-14(18)9-3-5-10(6-4-9)20-8-12-15-16-13(21-12)11-2-1-7-19-11/h1-7,17-18H,8H2.
What are the key properties of [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid?
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid has a molecular weight of 286.05 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid is sourced from PubChem (CID 123335106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).