ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate

C16H23NO4Si — CID 14688503

IUPACethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate
SMILESCCOC(=O)C1=NOC(O[Si](C)(C)C)(c2ccccc2)CC1
InChIInChI=1S/C16H23NO4Si/c1-5-19-15(18)14-11-12-16(20-17-14,21-22(2,3)4)13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3
InChIKeyWIVMYHIVDRQNAA-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.42
Rot. Bonds5

About ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate

ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate (PubChem CID 14688503) has the molecular formula C16H23NO4Si and a molecular weight of 321.45 g/mol. Its IUPAC name is ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate
PubChem CID14688503
Molecular FormulaC16H23NO4Si
Molecular Weight321.45 g/mol
Exact Mass321.14
IUPAC Nameethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate
SMILESCCOC(=O)C1=NOC(O[Si](C)(C)C)(c2ccccc2)CC1
InChIInChI=1S/C16H23NO4Si/c1-5-19-15(18)14-11-12-16(20-17-14,21-22(2,3)4)13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3
InChIKeyWIVMYHIVDRQNAA-UHFFFAOYSA-N
XLogP3.42
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.42
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 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 6451155
ethyl 5-hydroxy-5-phenyl-4H-1,2-oxazole-3-carboxylate
CID 131845862
5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate
CID 161249759
ethyl (6R,8R,9R,10S,11R)-9,10,11-tris(phenylmethoxy)-8-(phenylmethoxymethyl)-1,7-dioxa-2-azaspiro[5.5]undec-2-ene-3-carboxylate
CID 102416803
ethyl 8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1,2-benzoxazine-3-carboxylate
CID 14590245
ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 116526208
2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 175392819
ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
CID 129201855
ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate
CID 63381973
ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate
CID 23241211
ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
CID 159864160
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate?
The IUPAC name of ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate (CID 14688503) is ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate.
What is the SMILES notation for ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate?
The canonical SMILES for ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate is CCOC(=O)C1=NOC(O[Si](C)(C)C)(c2ccccc2)CC1.
What is the InChIKey of ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate?
The InChIKey is WIVMYHIVDRQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4Si/c1-5-19-15(18)14-11-12-16(20-17-14,21-22(2,3)4)13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3.
What are the key properties of ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate?
ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate has a molecular weight of 321.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate is sourced from PubChem (CID 14688503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).