trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate

C10H17NO3Si — CID 71327836

IUPACtrimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate
SMILESCc1cc(CCC(=O)O[Si](C)(C)C)on1
InChIInChI=1S/C10H17NO3Si/c1-8-7-9(13-11-8)5-6-10(12)14-15(2,3)4/h7H,5-6H2,1-4H3
InChIKeyLLYFBZXVLMPRCC-UHFFFAOYSA-N
MW227.34 g/mol
LogP2.29
Rot. Bonds4

About trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate

trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate (PubChem CID 71327836) has the molecular formula C10H17NO3Si and a molecular weight of 227.34 g/mol. Its IUPAC name is trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate
PubChem CID71327836
Molecular FormulaC10H17NO3Si
Molecular Weight227.34 g/mol
Exact Mass227.10
IUPAC Nametrimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate
SMILESCc1cc(CCC(=O)O[Si](C)(C)C)on1
InChIInChI=1S/C10H17NO3Si/c1-8-7-9(13-11-8)5-6-10(12)14-15(2,3)4/h7H,5-6H2,1-4H3
InChIKeyLLYFBZXVLMPRCC-UHFFFAOYSA-N
XLogP2.29
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate?
The IUPAC name of trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate (CID 71327836) is trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate is Cc1cc(CCC(=O)O[Si](C)(C)C)on1.
What is the InChIKey of trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate?
The InChIKey is LLYFBZXVLMPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3Si/c1-8-7-9(13-11-8)5-6-10(12)14-15(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate?
trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate has a molecular weight of 227.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 71327836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).