[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid

C10H12BNO4 — CID 131735840

IUPAC[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid
SMILESO=C1OCCN1Cc1ccc(B(O)O)cc1
InChIInChI=1S/C10H12BNO4/c13-10-12(5-6-16-10)7-8-1-3-9(4-2-8)11(14)15/h1-4,14-15H,5-7H2
InChIKeyRODUZJKXIMBHPB-UHFFFAOYSA-N
MW221.02 g/mol
LogP-0.68
Rot. Bonds3

About [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid

[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid (PubChem CID 131735840) has the molecular formula C10H12BNO4 and a molecular weight of 221.02 g/mol. Its IUPAC name is [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid
PubChem CID131735840
Molecular FormulaC10H12BNO4
Molecular Weight221.02 g/mol
Exact Mass221.09
IUPAC Name[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid
SMILESO=C1OCCN1Cc1ccc(B(O)O)cc1
InChIInChI=1S/C10H12BNO4/c13-10-12(5-6-16-10)7-8-1-3-9(4-2-8)11(14)15/h1-4,14-15H,5-7H2
InChIKeyRODUZJKXIMBHPB-UHFFFAOYSA-N
XLogP-0.68
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid?
The IUPAC name of [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid (CID 131735840) is [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid.
What is the SMILES notation for [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid?
The canonical SMILES for [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid is O=C1OCCN1Cc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid?
The InChIKey is RODUZJKXIMBHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO4/c13-10-12(5-6-16-10)7-8-1-3-9(4-2-8)11(14)15/h1-4,14-15H,5-7H2.
What are the key properties of [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid?
[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid has a molecular weight of 221.02 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]boronic acid is sourced from PubChem (CID 131735840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).