[5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane

C15H23NO3Si — CID 91696570

IUPAC[5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane
SMILESCc1cc(C)cc(OCC2CN=C(O[Si](C)(C)C)O2)c1
InChIInChI=1S/C15H23NO3Si/c1-11-6-12(2)8-13(7-11)17-10-14-9-16-15(18-14)19-20(3,4)5/h6-8,14H,9-10H2,1-5H3
InChIKeyLZIFTANSDLPQAO-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.29
Rot. Bonds4

About [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane

[5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane (PubChem CID 91696570) has the molecular formula C15H23NO3Si and a molecular weight of 293.44 g/mol. Its IUPAC name is [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane
PubChem CID91696570
Molecular FormulaC15H23NO3Si
Molecular Weight293.44 g/mol
Exact Mass293.14
IUPAC Name[5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane
SMILESCc1cc(C)cc(OCC2CN=C(O[Si](C)(C)C)O2)c1
InChIInChI=1S/C15H23NO3Si/c1-11-6-12(2)8-13(7-11)17-10-14-9-16-15(18-14)19-20(3,4)5/h6-8,14H,9-10H2,1-5H3
InChIKeyLZIFTANSDLPQAO-UHFFFAOYSA-N
XLogP3.29
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
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 [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane?
The IUPAC name of [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane (CID 91696570) is [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane?
The canonical SMILES for [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane is Cc1cc(C)cc(OCC2CN=C(O[Si](C)(C)C)O2)c1.
What is the InChIKey of [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane?
The InChIKey is LZIFTANSDLPQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3Si/c1-11-6-12(2)8-13(7-11)17-10-14-9-16-15(18-14)19-20(3,4)5/h6-8,14H,9-10H2,1-5H3.
What are the key properties of [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane?
[5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane has a molecular weight of 293.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 91696570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).