5-(dioxaborolan-3-yl)-1,2-oxazole

C5H6BNO3 — CID 155292832

IUPAC5-(dioxaborolan-3-yl)-1,2-oxazole
SMILESc1cc(B2CCOO2)on1
InChIInChI=1S/C5H6BNO3/c1-3-7-9-5(1)6-2-4-8-10-6/h1,3H,2,4H2
InChIKeyILCPQIOMHMEFNB-UHFFFAOYSA-N
MW138.92 g/mol
LogP-0.17
Rot. Bonds1

About 5-(dioxaborolan-3-yl)-1,2-oxazole

5-(dioxaborolan-3-yl)-1,2-oxazole (PubChem CID 155292832) has the molecular formula C5H6BNO3 and a molecular weight of 138.92 g/mol. Its IUPAC name is 5-(dioxaborolan-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(dioxaborolan-3-yl)-1,2-oxazole
PubChem CID155292832
Molecular FormulaC5H6BNO3
Molecular Weight138.92 g/mol
Exact Mass139.04
IUPAC Name5-(dioxaborolan-3-yl)-1,2-oxazole
SMILESc1cc(B2CCOO2)on1
InChIInChI=1S/C5H6BNO3/c1-3-7-9-5(1)6-2-4-8-10-6/h1,3H,2,4H2
InChIKeyILCPQIOMHMEFNB-UHFFFAOYSA-N
XLogP-0.17
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.92
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dioxaborolan-3-yl)-1,2-oxazole?
The IUPAC name of 5-(dioxaborolan-3-yl)-1,2-oxazole (CID 155292832) is 5-(dioxaborolan-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(dioxaborolan-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(dioxaborolan-3-yl)-1,2-oxazole is c1cc(B2CCOO2)on1.
What is the InChIKey of 5-(dioxaborolan-3-yl)-1,2-oxazole?
The InChIKey is ILCPQIOMHMEFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BNO3/c1-3-7-9-5(1)6-2-4-8-10-6/h1,3H,2,4H2.
What are the key properties of 5-(dioxaborolan-3-yl)-1,2-oxazole?
5-(dioxaborolan-3-yl)-1,2-oxazole has a molecular weight of 138.92 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dioxaborolan-3-yl)-1,2-oxazole is sourced from PubChem (CID 155292832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).