(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid

C5H8BNO3 — CID 2734346

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
SMILESCc1noc(C)c1B(O)O
InChIInChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
InChIKeyDIIFZCPZIRQDIJ-UHFFFAOYSA-N
MW140.94 g/mol
LogP-1.03
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid

(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid (PubChem CID 2734346) has the molecular formula C5H8BNO3 and a molecular weight of 140.94 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
PubChem CID2734346
Molecular FormulaC5H8BNO3
Molecular Weight140.94 g/mol
Exact Mass141.06
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
SMILESCc1noc(C)c1B(O)O
InChIInChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
InChIKeyDIIFZCPZIRQDIJ-UHFFFAOYSA-N
XLogP-1.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.94
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethylisoxazole
CID 9312
3,4,5-Trimethylisoxazole
CID 25375
4-Bromo-3,5-dimethyl-1,2-oxazole
CID 318421
4-Iodo-3,5-dimethyl-1,2-oxazole
CID 613883
4-Ethynyl-3,5-dimethyl-1,2-oxazole
CID 53426609
3,5-Dimethylisoxazole-4-boronic acid pinacol ester
CID 2758656
3,5-Dimethyl-4-(tributylstannyl)isoxazole
CID 15062215
4-Chloro-3,5-dimethylisoxazole
CID 539493
2-(Dimethyl-1,2-oxazol-4-yl)acetonitrile
CID 13792858
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl selenocyanate
CID 134153821
4-(Bromomethyl)-3,5-dimethyl-1,2-oxazole
CID 12793289
[3-(Methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid
CID 59648165

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid (CID 2734346) is (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid is Cc1noc(C)c1B(O)O.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid?
The InChIKey is DIIFZCPZIRQDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid?
(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid has a molecular weight of 140.94 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid is sourced from PubChem (CID 2734346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).