ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate

C28H29NO4Si — CID 44818827

IUPACethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)on1
InChIInChI=1S/C28H29NO4Si/c1-5-31-27(30)25-20-26(32-29-25)21-13-12-14-22(19-21)33-34(28(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-20H,5H2,1-4H3
InChIKeyITWKPQLZKSVSOM-UHFFFAOYSA-N
MW471.63 g/mol
LogP5.46
Rot. Bonds7

About ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44818827) has the molecular formula C28H29NO4Si and a molecular weight of 471.63 g/mol. Its IUPAC name is ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
PubChem CID44818827
Molecular FormulaC28H29NO4Si
Molecular Weight471.63 g/mol
Exact Mass471.19
IUPAC Nameethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)on1
InChIInChI=1S/C28H29NO4Si/c1-5-31-27(30)25-20-26(32-29-25)21-13-12-14-22(19-21)33-34(28(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-20H,5H2,1-4H3
InChIKeyITWKPQLZKSVSOM-UHFFFAOYSA-N
XLogP5.46
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819362
ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819890
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
ethyl 6-[tert-butyl(diphenyl)silyl]oxy-1-(difluoromethyl)indazole-3-carboxylate
CID 155933227
ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 158537593
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethoxycarbonylbenzoic acid
CID 10766489
ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
CID 168876067
ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941084
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate (CID 44818827) is ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)on1.
What is the InChIKey of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is ITWKPQLZKSVSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4Si/c1-5-31-27(30)25-20-26(32-29-25)21-13-12-14-22(19-21)33-34(28(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-20H,5H2,1-4H3.
What are the key properties of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 471.63 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44818827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).