5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester

C18H23NO4Si — CID 66928964

IUPAC—
SMILESCOC(=O)c1ncoc1-c1cccc(C(C)(C)O[Si]C(C)(C)C)c1
InChIInChI=1S/C18H23NO4Si/c1-17(2,3)24-23-18(4,5)13-9-7-8-12(10-13)15-14(16(20)21-6)19-11-22-15/h7-11H,1-6H3
InChIKeyGSPMXIBOPBLJJE-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.22
Rot. Bonds5

About 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester

5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester (PubChem CID 66928964) has the molecular formula C18H23NO4Si and a molecular weight of 345.47 g/mol.

Molecular Properties

Compound Name5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester
PubChem CID66928964
Molecular FormulaC18H23NO4Si
Molecular Weight345.47 g/mol
Exact Mass345.14
IUPAC Name—
SMILESCOC(=O)c1ncoc1-c1cccc(C(C)(C)O[Si]C(C)(C)C)c1
InChIInChI=1S/C18H23NO4Si/c1-17(2,3)24-23-18(4,5)13-9-7-8-12(10-13)15-14(16(20)21-6)19-11-22-15/h7-11H,1-6H3
InChIKeyGSPMXIBOPBLJJE-UHFFFAOYSA-N
XLogP4.22
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.22
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

methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate
CID 131730002
methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate
CID 66928296
methyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 54540338
ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
CID 110689290
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
N-[2-(furan-2-yl)ethyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46958823
1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 123160413

Frequently Asked Questions

What is the IUPAC name of 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester?
The IUPAC name of 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester (CID 66928964) is not available.
What is the SMILES notation for 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester?
The canonical SMILES for 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester is COC(=O)c1ncoc1-c1cccc(C(C)(C)O[Si]C(C)(C)C)c1.
What is the InChIKey of 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester?
The InChIKey is GSPMXIBOPBLJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4Si/c1-17(2,3)24-23-18(4,5)13-9-7-8-12(10-13)15-14(16(20)21-6)19-11-22-15/h7-11H,1-6H3.
What are the key properties of 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester?
5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester has a molecular weight of 345.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(Tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-oxazole-4-carboxylic acid methyl ester is sourced from PubChem (CID 66928964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).