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

C11H13BN2O3 — CID 58343827

IUPAC[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
SMILESCCCc1nnc(-c2ccccc2B(O)O)o1
InChIInChI=1S/C11H13BN2O3/c1-2-5-10-13-14-11(17-10)8-6-3-4-7-9(8)12(15)16/h3-4,6-7,15-16H,2,5H2,1H3
InChIKeyFVVOSNQSOYPWRQ-UHFFFAOYSA-N
MW232.05 g/mol
LogP0.37
Rot. Bonds4

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

[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid (PubChem CID 58343827) has the molecular formula C11H13BN2O3 and a molecular weight of 232.05 g/mol. Its IUPAC name is [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
PubChem CID58343827
Molecular FormulaC11H13BN2O3
Molecular Weight232.05 g/mol
Exact Mass232.10
IUPAC Name[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
SMILESCCCc1nnc(-c2ccccc2B(O)O)o1
InChIInChI=1S/C11H13BN2O3/c1-2-5-10-13-14-11(17-10)8-6-3-4-7-9(8)12(15)16/h3-4,6-7,15-16H,2,5H2,1H3
InChIKeyFVVOSNQSOYPWRQ-UHFFFAOYSA-N
XLogP0.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 50.37
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 [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
The IUPAC name of [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid (CID 58343827) is [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid.
What is the SMILES notation for [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
The canonical SMILES for [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid is CCCc1nnc(-c2ccccc2B(O)O)o1.
What is the InChIKey of [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
The InChIKey is FVVOSNQSOYPWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BN2O3/c1-2-5-10-13-14-11(17-10)8-6-3-4-7-9(8)12(15)16/h3-4,6-7,15-16H,2,5H2,1H3.
What are the key properties of [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?
[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid has a molecular weight of 232.05 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid is sourced from PubChem (CID 58343827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).