tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane

C25H33NO2Si — CID 166448785

IUPACtert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(C/C=C/C1=NOC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C25H33NO2Si/c1-25(2,3)29(4,5)28-23(20-13-8-6-9-14-20)18-12-17-22-19-24(27-26-22)21-15-10-7-11-16-21/h6-17,23-24H,18-19H2,1-5H3/b17-12+
InChIKeyOBIUWXXUENTXBC-SFQUDFHCSA-N
MW407.63 g/mol
LogP7.21
Rot. Bonds7

About tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane

tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane (PubChem CID 166448785) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane
PubChem CID166448785
Molecular FormulaC25H33NO2Si
Molecular Weight407.63 g/mol
Exact Mass407.23
IUPAC Nametert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(C/C=C/C1=NOC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C25H33NO2Si/c1-25(2,3)29(4,5)28-23(20-13-8-6-9-14-20)18-12-17-22-19-24(27-26-22)21-15-10-7-11-16-21/h6-17,23-24H,18-19H2,1-5H3/b17-12+
InChIKeyOBIUWXXUENTXBC-SFQUDFHCSA-N
XLogP7.21
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.63
LogP ≤ 57.21
H-Bond Donors ≤ 50
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 tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane (CID 166448785) is tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane is CC(C)(C)[Si](C)(C)OC(C/C=C/C1=NOC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane?
The InChIKey is OBIUWXXUENTXBC-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-25(2,3)29(4,5)28-23(20-13-8-6-9-14-20)18-12-17-22-19-24(27-26-22)21-15-10-7-11-16-21/h6-17,23-24H,18-19H2,1-5H3/b17-12+.
What are the key properties of tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane?
tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane has a molecular weight of 407.63 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane is sourced from PubChem (CID 166448785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).