methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate

C19H27NO4Si — CID 66928296

IUPACmethyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1-c1cccc(CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H27NO4Si/c1-19(2,3)25(5,6)24-11-10-14-8-7-9-15(12-14)17-16(18(21)22-4)20-13-23-17/h7-9,12-13H,10-11H2,1-6H3
InChIKeyZKIKJTDWGCFCIW-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.69
Rot. Bonds6

About methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate

methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 66928296) has the molecular formula C19H27NO4Si and a molecular weight of 361.51 g/mol. Its IUPAC name is methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate
PubChem CID66928296
Molecular FormulaC19H27NO4Si
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Namemethyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1-c1cccc(CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H27NO4Si/c1-19(2,3)25(5,6)24-11-10-14-8-7-9-15(12-14)17-16(18(21)22-4)20-13-23-17/h7-9,12-13H,10-11H2,1-6H3
InChIKeyZKIKJTDWGCFCIW-UHFFFAOYSA-N
XLogP4.69
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate (CID 66928296) is methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate is COC(=O)c1ncoc1-c1cccc(CCO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is ZKIKJTDWGCFCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4Si/c1-19(2,3)25(5,6)24-11-10-14-8-7-9-15(12-14)17-16(18(21)22-4)20-13-23-17/h7-9,12-13H,10-11H2,1-6H3.
What are the key properties of methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate?
methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 361.51 g/mol, XLogP of 4.69, 6 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-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66928296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).