1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone

C14H24BNO4Si — CID 57416416

IUPAC1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1noc([Si](C)(C)C)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H24BNO4Si/c1-9(17)11-10(12(18-16-11)21(6,7)8)15-19-13(2,3)14(4,5)20-15/h1-8H3
InChIKeyBAJRFOUUFNFAJX-UHFFFAOYSA-N
MW309.25 g/mol
LogP1.72
Rot. Bonds3

About 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone (PubChem CID 57416416) has the molecular formula C14H24BNO4Si and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone
PubChem CID57416416
Molecular FormulaC14H24BNO4Si
Molecular Weight309.25 g/mol
Exact Mass309.16
IUPAC Name1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1noc([Si](C)(C)C)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H24BNO4Si/c1-9(17)11-10(12(18-16-11)21(6,7)8)15-19-13(2,3)14(4,5)20-15/h1-8H3
InChIKeyBAJRFOUUFNFAJX-UHFFFAOYSA-N
XLogP1.72
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
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 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone (CID 57416416) is 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone is CC(=O)c1noc([Si](C)(C)C)c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone?
The InChIKey is BAJRFOUUFNFAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BNO4Si/c1-9(17)11-10(12(18-16-11)21(6,7)8)15-19-13(2,3)14(4,5)20-15/h1-8H3.
What are the key properties of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone?
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone has a molecular weight of 309.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilyl-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 57416416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).