3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate

C17H25NO3Si — CID 165021491

IUPAC3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate
SMILESO=C(CCN1CCOC1/C=C/c1ccccc1)OCCC[SiH3]
InChIInChI=1S/C17H25NO3Si/c19-17(21-12-4-14-22)9-10-18-11-13-20-16(18)8-7-15-5-2-1-3-6-15/h1-3,5-8,16H,4,9-14H2,22H3/b8-7+
InChIKeyLFNSNGDZVLGZBZ-BQYQJAHWSA-N
MW319.48 g/mol
LogP1.47
Rot. Bonds8

About 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate

3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate (PubChem CID 165021491) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Name3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate
PubChem CID165021491
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC Name3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate
SMILESO=C(CCN1CCOC1/C=C/c1ccccc1)OCCC[SiH3]
InChIInChI=1S/C17H25NO3Si/c19-17(21-12-4-14-22)9-10-18-11-13-20-16(18)8-7-15-5-2-1-3-6-15/h1-3,5-8,16H,4,9-14H2,22H3/b8-7+
InChIKeyLFNSNGDZVLGZBZ-BQYQJAHWSA-N
XLogP1.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane
CID 164995189
ethyl 3-[(E)-2-phenylethenyl]-1,4-dioxane-2-carboxylate
CID 91748647
[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine
CID 114398466
methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate
CID 100961714
ethyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propanoate
CID 61370843
[(E)-3-phenylprop-2-enyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727983
methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
CID 75361746
3-phenylpropyl 3-(oxolan-2-yl)propanoate
CID 78859306
tert-butyl 3-[2-[4-(3-phenylprop-2-enoxy)phenyl]morpholin-4-yl]propanoate
CID 67031689
butyl 4-phenylbut-3-enoate
CID 575894
bis[3-[4-[(E)-2-phenylethenyl]phenyl]propyl] propanedioate
CID 175285475
3-(5-phenyltetrazol-2-yl)propyl 3-[(2S)-oxolan-2-yl]propanoate
CID 95174707

Frequently Asked Questions

What is the IUPAC name of 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate (CID 165021491) is 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate is O=C(CCN1CCOC1/C=C/c1ccccc1)OCCC[SiH3].
What is the InChIKey of 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is LFNSNGDZVLGZBZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H25NO3Si/c19-17(21-12-4-14-22)9-10-18-11-13-20-16(18)8-7-15-5-2-1-3-6-15/h1-3,5-8,16H,4,9-14H2,22H3/b8-7+.
What are the key properties of 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate?
3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 319.48 g/mol, XLogP of 1.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 165021491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).