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

C19H19NO2 — CID 102222628

IUPAC3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESC=C(c1cccc(C)c1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H19NO2/c1-14-7-6-10-17(11-14)15(2)18-13-20(19(21)22-18)12-16-8-4-3-5-9-16/h3-11,18H,2,12-13H2,1H3
InChIKeyFJACXWWUJJKORP-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.03
Rot. Bonds4

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

3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one (PubChem CID 102222628) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
PubChem CID102222628
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESC=C(c1cccc(C)c1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H19NO2/c1-14-7-6-10-17(11-14)15(2)18-13-20(19(21)22-18)12-16-8-4-3-5-9-16/h3-11,18H,2,12-13H2,1H3
InChIKeyFJACXWWUJJKORP-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222629
3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one
CID 102591007
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
(3E)-1-benzyl-3-[hydroxy-(3-methylphenyl)methylidene]pyrrolidine-2,4-dione
CID 177424899
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one
CID 71818948
1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535494
5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 59580293
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
CID 50901183
(5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione
CID 152583840

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one (CID 102222628) is 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one is C=C(c1cccc(C)c1)C1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The InChIKey is FJACXWWUJJKORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-7-6-10-17(11-14)15(2)18-13-20(19(21)22-18)12-16-8-4-3-5-9-16/h3-11,18H,2,12-13H2,1H3.
What are the key properties of 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102222628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).