tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane

C22H29NOSi — CID 101481595

IUPACtert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane
SMILESCCN1OC([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=CC1C
InChIInChI=1S/C22H29NOSi/c1-6-23-18(2)17-21(24-23)25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,6H2,1-5H3
InChIKeyMCNXWBLITRXKDJ-UHFFFAOYSA-N
MW351.57 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane

tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane (PubChem CID 101481595) has the molecular formula C22H29NOSi and a molecular weight of 351.57 g/mol. Its IUPAC name is tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane
PubChem CID101481595
Molecular FormulaC22H29NOSi
Molecular Weight351.57 g/mol
Exact Mass351.20
IUPAC Nametert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane
SMILESCCN1OC([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=CC1C
InChIInChI=1S/C22H29NOSi/c1-6-23-18(2)17-21(24-23)25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,6H2,1-5H3
InChIKeyMCNXWBLITRXKDJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane?
The IUPAC name of tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane (CID 101481595) is tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane.
What is the SMILES notation for tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane?
The canonical SMILES for tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane is CCN1OC([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=CC1C.
What is the InChIKey of tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane?
The InChIKey is MCNXWBLITRXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOSi/c1-6-23-18(2)17-21(24-23)25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,6H2,1-5H3.
What are the key properties of tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane?
tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane has a molecular weight of 351.57 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-ethyl-3-methyl-3H-1,2-oxazol-5-yl)-diphenylsilane is sourced from PubChem (CID 101481595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).