(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one

C24H21NO2 — CID 177447043

IUPAC(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one
SMILESO=C1O/C(=C/c2ccccc2)C(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H21NO2/c26-24-25(18-21-14-8-3-9-15-21)22(16-19-10-4-1-5-11-19)23(27-24)17-20-12-6-2-7-13-20/h1-15,17,22H,16,18H2/b23-17+
InChIKeyJGUZTHBFVAAOJV-HAVVHWLPSA-N
MW355.44 g/mol
LogP5.29
Rot. Bonds5

About (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one

(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one (PubChem CID 177447043) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one
PubChem CID177447043
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one
SMILESO=C1O/C(=C/c2ccccc2)C(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H21NO2/c26-24-25(18-21-14-8-3-9-15-21)22(16-19-10-4-1-5-11-19)23(27-24)17-20-12-6-2-7-13-20/h1-15,17,22H,16,18H2/b23-17+
InChIKeyJGUZTHBFVAAOJV-HAVVHWLPSA-N
XLogP5.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3872332
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
(4-carbamoyloxy-2,5-diphenyl-2,5-dihydro-1H-pyrrol-3-yl) carbamate
CID 44312042
(3aS,7aR)-3-benzyl-7a-(2-phenylethynyl)-4,5,6,7-tetrahydro-3aH-1,3-benzoxazol-2-one
CID 138391814
4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 6255679
(4R)-3-benzyl-4-phenyl-1,3-oxazolidin-2-one
CID 11357228
[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride
CID 11123579
Ormlfknkrrwlor-irxdydnusa-
CID 15349927
Pczknhfpuwpqtf-rouuacijsa-
CID 15349930
(5E)-3-benzyl-5-benzylidene-1,3-oxazolidin-2-one
CID 16092070

Frequently Asked Questions

What is the IUPAC name of (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one (CID 177447043) is (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one is O=C1O/C(=C/c2ccccc2)C(Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one?
The InChIKey is JGUZTHBFVAAOJV-HAVVHWLPSA-N. The full InChI is InChI=1S/C24H21NO2/c26-24-25(18-21-14-8-3-9-15-21)22(16-19-10-4-1-5-11-19)23(27-24)17-20-12-6-2-7-13-20/h1-15,17,22H,16,18H2/b23-17+.
What are the key properties of (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one?
(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one has a molecular weight of 355.44 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 177447043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).