ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate

C17H28FNO4Si — CID 57160204

IUPACethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate
SMILESCCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(F)=Cc1coc(C)n1
InChIInChI=1S/C17H28FNO4Si/c1-8-21-16(20)10-15(23-24(6,7)17(3,4)5)14(18)9-13-11-22-12(2)19-13/h9,11,15H,8,10H2,1-7H3/t15-/m0/s1
InChIKeyCOCZWPMHAWHIAT-HNNXBMFYSA-N
MW357.50 g/mol
LogP4.64
Rot. Bonds7

About ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate

ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate (PubChem CID 57160204) has the molecular formula C17H28FNO4Si and a molecular weight of 357.50 g/mol. Its IUPAC name is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate
PubChem CID57160204
Molecular FormulaC17H28FNO4Si
Molecular Weight357.50 g/mol
Exact Mass357.18
IUPAC Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate
SMILESCCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(F)=Cc1coc(C)n1
InChIInChI=1S/C17H28FNO4Si/c1-8-21-16(20)10-15(23-24(6,7)17(3,4)5)14(18)9-13-11-22-12(2)19-13/h9,11,15H,8,10H2,1-7H3/t15-/m0/s1
InChIKeyCOCZWPMHAWHIAT-HNNXBMFYSA-N
XLogP4.64
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate?
The IUPAC name of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate (CID 57160204) is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate.
What is the SMILES notation for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate?
The canonical SMILES for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate is CCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(F)=Cc1coc(C)n1.
What is the InChIKey of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate?
The InChIKey is COCZWPMHAWHIAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28FNO4Si/c1-8-21-16(20)10-15(23-24(6,7)17(3,4)5)14(18)9-13-11-22-12(2)19-13/h9,11,15H,8,10H2,1-7H3/t15-/m0/s1.
What are the key properties of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate?
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate has a molecular weight of 357.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-enoate is sourced from PubChem (CID 57160204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).