3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one

C19H19NO3 — CID 102222629

IUPAC3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESC=C(c1ccc(OC)cc1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H19NO3/c1-14(16-8-10-17(22-2)11-9-16)18-13-20(19(21)23-18)12-15-6-4-3-5-7-15/h3-11,18H,1,12-13H2,2H3
InChIKeyMVYWIWQGJHWCCG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.73
Rot. Bonds5

About 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one

3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one (PubChem CID 102222629) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
PubChem CID102222629
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESC=C(c1ccc(OC)cc1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H19NO3/c1-14(16-8-10-17(22-2)11-9-16)18-13-20(19(21)23-18)12-15-6-4-3-5-7-15/h3-11,18H,1,12-13H2,2H3
InChIKeyMVYWIWQGJHWCCG-UHFFFAOYSA-N
XLogP3.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222628
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one
CID 102591007
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile
CID 135003401
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7281674
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 2793994
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one (CID 102222629) is 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one is C=C(c1ccc(OC)cc1)C1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one?
The InChIKey is MVYWIWQGJHWCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14(16-8-10-17(22-2)11-9-16)18-13-20(19(21)23-18)12-15-6-4-3-5-7-15/h3-11,18H,1,12-13H2,2H3.
What are the key properties of 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one?
3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102222629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).