3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one

C23H23NO2 — CID 102591007

IUPAC3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one
SMILESC=C(C(=C=C(C)C)c1ccccc1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C23H23NO2/c1-17(2)14-21(20-12-8-5-9-13-20)18(3)22-16-24(23(25)26-22)15-19-10-6-4-7-11-19/h4-13,22H,3,15-16H2,1-2H3
InChIKeyWTSROJODGBVEPR-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.21
Rot. Bonds5

About 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one

3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one (PubChem CID 102591007) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one
PubChem CID102591007
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one
SMILESC=C(C(=C=C(C)C)c1ccccc1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C23H23NO2/c1-17(2)14-21(20-12-8-5-9-13-20)18(3)22-16-24(23(25)26-22)15-19-10-6-4-7-11-19/h4-13,22H,3,15-16H2,1-2H3
InChIKeyWTSROJODGBVEPR-UHFFFAOYSA-N
XLogP5.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222628
3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222629
(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one
CID 71818948
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(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
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
3-acetyl-1-benzylazetidin-2-one
CID 13222627
3-[(4-chlorophenyl)methyl]-5-[(2E)-hepta-2,6-dien-3-yl]-1,3-oxazolidin-2-one
CID 143501514
1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 131329119

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one (CID 102591007) is 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one is C=C(C(=C=C(C)C)c1ccccc1)C1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is WTSROJODGBVEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-17(2)14-21(20-12-8-5-9-13-20)18(3)22-16-24(23(25)26-22)15-19-10-6-4-7-11-19/h4-13,22H,3,15-16H2,1-2H3.
What are the key properties of 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one?
3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(5-methyl-3-phenylhexa-1,3,4-trien-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102591007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).