[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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Related Compounds

3,5-Dimethylisoxazole-4-boronic acid
CID 2734346
3-(1,1-Difluoroethoxymethyl)-5-methyl-1,2-oxazole
CID 68641822
Ethane;3-(methoxymethyl)-5-(trifluoromethyl)-1,2-oxazole
CID 172271194
3-Methoxymethyl-5-methyisoxazole
CID 12278252
Trifluoro-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boranuide
CID 165984731
3-(Methoxymethyl)-4,5-dimethyl-1,2-oxazole
CID 12278246
3-(Ethoxymethyl)-5-methyl-1,2-oxazole
CID 18338355
3-(2-Methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazole
CID 57476521
5-Methyl-3-(propan-2-yloxymethyl)-1,2-oxazole
CID 57832458
(4-Iodo-5-methyl-1,2-oxazol-3-YL)methanol
CID 57978421
CID 58544126
CID 58544126
4-Bromo-3-(methoxymethyl)-5-methyl-1,2-oxazole
CID 59648113

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).