methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate

C18H25NO4Si — CID 131730002

IUPACmethyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1-c1cccc(C(C)(C)O[SiH2]C(C)(C)C)c1
InChIInChI=1S/C18H25NO4Si/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,24H2,1-6H3
InChIKeyKJSBCPCDSMMPIQ-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.68
Rot. Bonds5

About methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate

methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 131730002) has the molecular formula C18H25NO4Si and a molecular weight of 347.49 g/mol. Its IUPAC name is methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID131730002
Molecular FormulaC18H25NO4Si
Molecular Weight347.49 g/mol
Exact Mass347.16
IUPAC Namemethyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1-c1cccc(C(C)(C)O[SiH2]C(C)(C)C)c1
InChIInChI=1S/C18H25NO4Si/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,24H2,1-6H3
InChIKeyKJSBCPCDSMMPIQ-UHFFFAOYSA-N
XLogP3.68
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.68
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 methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate (CID 131730002) is methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate is COC(=O)c1ncoc1-c1cccc(C(C)(C)O[SiH2]C(C)(C)C)c1.
What is the InChIKey of methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is KJSBCPCDSMMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4Si/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,24H2,1-6H3.
What are the key properties of methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate?
methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 347.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 131730002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).