boric acid;1,2-oxazole

C3H6BNO4 — CID 158191475

IUPACboric acid;1,2-oxazole
SMILESOB(O)O.c1cnoc1
InChIInChI=1S/C3H3NO.BH3O3/c1-2-4-5-3-1;2-1(3)4/h1-3H;2-4H
InChIKeyFZUPUCDUKHIJKS-UHFFFAOYSA-N
MW130.90 g/mol
LogP-1.38
Rot. Bonds

About boric acid;1,2-oxazole

boric acid;1,2-oxazole (PubChem CID 158191475) has the molecular formula C3H6BNO4 and a molecular weight of 130.90 g/mol. Its IUPAC name is boric acid;1,2-oxazole.

Molecular Properties

Compound Nameboric acid;1,2-oxazole
PubChem CID158191475
Molecular FormulaC3H6BNO4
Molecular Weight130.90 g/mol
Exact Mass131.04
IUPAC Nameboric acid;1,2-oxazole
SMILESOB(O)O.c1cnoc1
InChIInChI=1S/C3H3NO.BH3O3/c1-2-4-5-3-1;2-1(3)4/h1-3H;2-4H
InChIKeyFZUPUCDUKHIJKS-UHFFFAOYSA-N
XLogP-1.38
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.90
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
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 boric acid;1,2-oxazole?
The IUPAC name of boric acid;1,2-oxazole (CID 158191475) is boric acid;1,2-oxazole.
What is the SMILES notation for boric acid;1,2-oxazole?
The canonical SMILES for boric acid;1,2-oxazole is OB(O)O.c1cnoc1.
What is the InChIKey of boric acid;1,2-oxazole?
The InChIKey is FZUPUCDUKHIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.BH3O3/c1-2-4-5-3-1;2-1(3)4/h1-3H;2-4H.
What are the key properties of boric acid;1,2-oxazole?
boric acid;1,2-oxazole has a molecular weight of 130.90 g/mol, XLogP of -1.38, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1,2-oxazole is sourced from PubChem (CID 158191475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).