4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one

C11H15NO3Si — CID 14295985

IUPAC4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc([Si](C)(C)C)c2oc(=O)[nH]c12
InChIInChI=1S/C11H15NO3Si/c1-14-7-5-6-8(16(2,3)4)10-9(7)12-11(13)15-10/h5-6H,1-4H3,(H,12,13)
InChIKeyRUCFHQBLODVZOD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.67
Rot. Bonds2

About 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one

4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one (PubChem CID 14295985) has the molecular formula C11H15NO3Si and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one
PubChem CID14295985
Molecular FormulaC11H15NO3Si
Molecular Weight237.33 g/mol
Exact Mass237.08
IUPAC Name4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc([Si](C)(C)C)c2oc(=O)[nH]c12
InChIInChI=1S/C11H15NO3Si/c1-14-7-5-6-8(16(2,3)4)10-9(7)12-11(13)15-10/h5-6H,1-4H3,(H,12,13)
InChIKeyRUCFHQBLODVZOD-UHFFFAOYSA-N
XLogP1.67
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one (CID 14295985) is 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one is COc1ccc([Si](C)(C)C)c2oc(=O)[nH]c12.
What is the InChIKey of 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one?
The InChIKey is RUCFHQBLODVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3Si/c1-14-7-5-6-8(16(2,3)4)10-9(7)12-11(13)15-10/h5-6H,1-4H3,(H,12,13).
What are the key properties of 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one?
4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one has a molecular weight of 237.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-trimethylsilyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 14295985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).