(4-tert-butyl-1,3-oxazol-2-yl)boronic acid

C7H12BNO3 — CID 165444745

IUPAC(4-tert-butyl-1,3-oxazol-2-yl)boronic acid
SMILESCC(C)(C)c1coc(B(O)O)n1
InChIInChI=1S/C7H12BNO3/c1-7(2,3)5-4-12-6(9-5)8(10)11/h4,10-11H,1-3H3
InChIKeyRNXFDTCURBSTBA-UHFFFAOYSA-N
MW168.99 g/mol
LogP-0.35
Rot. Bonds1

About (4-tert-butyl-1,3-oxazol-2-yl)boronic acid

(4-tert-butyl-1,3-oxazol-2-yl)boronic acid (PubChem CID 165444745) has the molecular formula C7H12BNO3 and a molecular weight of 168.99 g/mol. Its IUPAC name is (4-tert-butyl-1,3-oxazol-2-yl)boronic acid.

Molecular Properties

Compound Name(4-tert-butyl-1,3-oxazol-2-yl)boronic acid
PubChem CID165444745
Molecular FormulaC7H12BNO3
Molecular Weight168.99 g/mol
Exact Mass169.09
IUPAC Name(4-tert-butyl-1,3-oxazol-2-yl)boronic acid
SMILESCC(C)(C)c1coc(B(O)O)n1
InChIInChI=1S/C7H12BNO3/c1-7(2,3)5-4-12-6(9-5)8(10)11/h4,10-11H,1-3H3
InChIKeyRNXFDTCURBSTBA-UHFFFAOYSA-N
XLogP-0.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 5-0.35
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-tert-butyl-1,3-oxazol-2-yl)boronic acid?
The IUPAC name of (4-tert-butyl-1,3-oxazol-2-yl)boronic acid (CID 165444745) is (4-tert-butyl-1,3-oxazol-2-yl)boronic acid.
What is the SMILES notation for (4-tert-butyl-1,3-oxazol-2-yl)boronic acid?
The canonical SMILES for (4-tert-butyl-1,3-oxazol-2-yl)boronic acid is CC(C)(C)c1coc(B(O)O)n1.
What is the InChIKey of (4-tert-butyl-1,3-oxazol-2-yl)boronic acid?
The InChIKey is RNXFDTCURBSTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BNO3/c1-7(2,3)5-4-12-6(9-5)8(10)11/h4,10-11H,1-3H3.
What are the key properties of (4-tert-butyl-1,3-oxazol-2-yl)boronic acid?
(4-tert-butyl-1,3-oxazol-2-yl)boronic acid has a molecular weight of 168.99 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-oxazol-2-yl)boronic acid is sourced from PubChem (CID 165444745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).