[5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid

C11H13BFN3O3 — CID 175417520

IUPAC[5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid
SMILESCc1cc2c(cc1F)c(B(O)O)nn2C1NCCO1
InChIInChI=1S/C11H13BFN3O3/c1-6-4-9-7(5-8(6)13)10(12(17)18)15-16(9)11-14-2-3-19-11/h4-5,11,14,17-18H,2-3H2,1H3
InChIKeyIRXSJJSRZNJEAZ-UHFFFAOYSA-N
MW265.05 g/mol
LogP-0.76
Rot. Bonds2

About [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid

[5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid (PubChem CID 175417520) has the molecular formula C11H13BFN3O3 and a molecular weight of 265.05 g/mol. Its IUPAC name is [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid
PubChem CID175417520
Molecular FormulaC11H13BFN3O3
Molecular Weight265.05 g/mol
Exact Mass265.10
IUPAC Name[5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid
SMILESCc1cc2c(cc1F)c(B(O)O)nn2C1NCCO1
InChIInChI=1S/C11H13BFN3O3/c1-6-4-9-7(5-8(6)13)10(12(17)18)15-16(9)11-14-2-3-19-11/h4-5,11,14,17-18H,2-3H2,1H3
InChIKeyIRXSJJSRZNJEAZ-UHFFFAOYSA-N
XLogP-0.76
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid?
The IUPAC name of [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid (CID 175417520) is [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid.
What is the SMILES notation for [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid?
The canonical SMILES for [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid is Cc1cc2c(cc1F)c(B(O)O)nn2C1NCCO1.
What is the InChIKey of [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid?
The InChIKey is IRXSJJSRZNJEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BFN3O3/c1-6-4-9-7(5-8(6)13)10(12(17)18)15-16(9)11-14-2-3-19-11/h4-5,11,14,17-18H,2-3H2,1H3.
What are the key properties of [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid?
[5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid has a molecular weight of 265.05 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-methyl-1-(1,3-oxazolidin-2-yl)indazol-3-yl]boronic acid is sourced from PubChem (CID 175417520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).