[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid

C7H6BN3O3 — CID 139026817

IUPAC[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid
SMILESOB(O)c1cnc(-c2ncco2)nc1
InChIInChI=1S/C7H6BN3O3/c12-8(13)5-3-10-6(11-4-5)7-9-1-2-14-7/h1-4,12-13H
InChIKeyQOGHPSPNXKTQBI-UHFFFAOYSA-N
MW190.96 g/mol
LogP-1.19
Rot. Bonds2

About [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid

[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid (PubChem CID 139026817) has the molecular formula C7H6BN3O3 and a molecular weight of 190.96 g/mol. Its IUPAC name is [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid.

Molecular Properties

Compound Name[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid
PubChem CID139026817
Molecular FormulaC7H6BN3O3
Molecular Weight190.96 g/mol
Exact Mass191.05
IUPAC Name[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid
SMILESOB(O)c1cnc(-c2ncco2)nc1
InChIInChI=1S/C7H6BN3O3/c12-8(13)5-3-10-6(11-4-5)7-9-1-2-14-7/h1-4,12-13H
InChIKeyQOGHPSPNXKTQBI-UHFFFAOYSA-N
XLogP-1.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.96
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid?
The IUPAC name of [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid (CID 139026817) is [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid.
What is the SMILES notation for [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid?
The canonical SMILES for [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid is OB(O)c1cnc(-c2ncco2)nc1.
What is the InChIKey of [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid?
The InChIKey is QOGHPSPNXKTQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BN3O3/c12-8(13)5-3-10-6(11-4-5)7-9-1-2-14-7/h1-4,12-13H.
What are the key properties of [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid?
[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid has a molecular weight of 190.96 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-oxazol-2-yl)pyrimidin-5-yl]boronic acid is sourced from PubChem (CID 139026817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).