(4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one

C17H16N2O2 — CID 11161810

IUPAC(4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1/N=C/c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-17-19(18-12-15-9-5-2-6-10-15)16(13-21-17)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2/b18-12+/t16-/m0/s1
InChIKeyDSZCWUHTPCBTIP-IQFISFIMSA-N
MW280.33 g/mol
LogP3.08
Rot. Bonds4

About (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one (PubChem CID 11161810) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
PubChem CID11161810
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1/N=C/c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-17-19(18-12-15-9-5-2-6-10-15)16(13-21-17)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2/b18-12+/t16-/m0/s1
InChIKeyDSZCWUHTPCBTIP-IQFISFIMSA-N
XLogP3.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one (CID 11161810) is (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1/N=C/c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is DSZCWUHTPCBTIP-IQFISFIMSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17-19(18-12-15-9-5-2-6-10-15)16(13-21-17)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2/b18-12+/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11161810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).