[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid

C6H10BNO4 — CID 59648165

IUPAC[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid
SMILESCOCc1noc(C)c1B(O)O
InChIInChI=1S/C6H10BNO4/c1-4-6(7(9)10)5(3-11-2)8-12-4/h9-10H,3H2,1-2H3
InChIKeyOFDMWBIEGDCUKQ-UHFFFAOYSA-N
MW170.96 g/mol
LogP-1.19
Rot. Bonds3

About [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid

[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid (PubChem CID 59648165) has the molecular formula C6H10BNO4 and a molecular weight of 170.96 g/mol. Its IUPAC name is [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid.

Molecular Properties

Compound Name[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid
PubChem CID59648165
Molecular FormulaC6H10BNO4
Molecular Weight170.96 g/mol
Exact Mass171.07
IUPAC Name[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid
SMILESCOCc1noc(C)c1B(O)O
InChIInChI=1S/C6H10BNO4/c1-4-6(7(9)10)5(3-11-2)8-12-4/h9-10H,3H2,1-2H3
InChIKeyOFDMWBIEGDCUKQ-UHFFFAOYSA-N
XLogP-1.19
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.96
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
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 [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid?
The IUPAC name of [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid (CID 59648165) is [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid.
What is the SMILES notation for [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid?
The canonical SMILES for [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid is COCc1noc(C)c1B(O)O.
What is the InChIKey of [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid?
The InChIKey is OFDMWBIEGDCUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BNO4/c1-4-6(7(9)10)5(3-11-2)8-12-4/h9-10H,3H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid?
[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid has a molecular weight of 170.96 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid is sourced from PubChem (CID 59648165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).