5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one

C23H19NO2 — CID 132522925

IUPAC5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one
SMILESO=C1OC(=C(c2ccccc2)c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-23-24(16-18-10-4-1-5-11-18)17-21(26-23)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyXDURPODVJXZSEM-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.10
Rot. Bonds4

About 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one

5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one (PubChem CID 132522925) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one
PubChem CID132522925
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one
SMILESO=C1OC(=C(c2ccccc2)c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-23-24(16-18-10-4-1-5-11-18)17-21(26-23)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyXDURPODVJXZSEM-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
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5-benzhydrylideneoxolan-2-one
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3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
4-benzyl-5H-1,4-benzoxazepin-3-one
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1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one
CID 135000161
3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117274608
(5E)-3-benzyl-5-[phenyl-(3,4,5-trichlorophenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 151684802
1-benzyl-5-oxo-2H-pyrrole-3-carboxylic acid
CID 141343948
5-benzyl-5-azaspiro[2.3]hexan-6-one
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1-benzyl-3,4-dichloro-2H-pyrrol-5-one
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CID 174994231

Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one (CID 132522925) is 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one is O=C1OC(=C(c2ccccc2)c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one?
The InChIKey is XDURPODVJXZSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-23-24(16-18-10-4-1-5-11-18)17-21(26-23)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one?
5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 132522925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).