[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid

C10H13BN2O3 — CID 140726663

IUPAC[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid
SMILESCC1(C)COC(c2ccc(B(O)O)cn2)=N1
InChIInChI=1S/C10H13BN2O3/c1-10(2)6-16-9(13-10)8-4-3-7(5-12-8)11(14)15/h3-5,14-15H,6H2,1-2H3
InChIKeyZERCJJPXAYISDB-UHFFFAOYSA-N
MW220.04 g/mol
LogP-0.68
Rot. Bonds2

About [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid

[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid (PubChem CID 140726663) has the molecular formula C10H13BN2O3 and a molecular weight of 220.04 g/mol. Its IUPAC name is [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid
PubChem CID140726663
Molecular FormulaC10H13BN2O3
Molecular Weight220.04 g/mol
Exact Mass220.10
IUPAC Name[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid
SMILESCC1(C)COC(c2ccc(B(O)O)cn2)=N1
InChIInChI=1S/C10H13BN2O3/c1-10(2)6-16-9(13-10)8-4-3-7(5-12-8)11(14)15/h3-5,14-15H,6H2,1-2H3
InChIKeyZERCJJPXAYISDB-UHFFFAOYSA-N
XLogP-0.68
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 5-0.68
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 [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid (CID 140726663) is [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid is CC1(C)COC(c2ccc(B(O)O)cn2)=N1.
What is the InChIKey of [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid?
The InChIKey is ZERCJJPXAYISDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BN2O3/c1-10(2)6-16-9(13-10)8-4-3-7(5-12-8)11(14)15/h3-5,14-15H,6H2,1-2H3.
What are the key properties of [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid?
[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid has a molecular weight of 220.04 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 140726663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).