(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium

C22H20NOSe+ — CID 134883682

IUPAC(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
SMILESC(\c1ccccc1)=[N+]1\OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H20NOSe/c1-4-10-18(11-5-1)16-23-22(19-12-6-2-7-13-19)21(17-24-23)25-20-14-8-3-9-15-20/h1-16,21-22H,17H2/q+1/b23-16-/t21-,22+/m1/s1
InChIKeyLWFGHODZFZEYLZ-ROJCUSIQSA-N
MW393.37 g/mol
LogP3.62
Rot. Bonds4

About (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium

(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium (PubChem CID 134883682) has the molecular formula C22H20NOSe+ and a molecular weight of 393.37 g/mol. Its IUPAC name is (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium.

Molecular Properties

Compound Name(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
PubChem CID134883682
Molecular FormulaC22H20NOSe+
Molecular Weight393.37 g/mol
Exact Mass394.07
IUPAC Name(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
SMILESC(\c1ccccc1)=[N+]1\OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H20NOSe/c1-4-10-18(11-5-1)16-23-22(19-12-6-2-7-13-19)21(17-24-23)25-20-14-8-3-9-15-20/h1-16,21-22H,17H2/q+1/b23-16-/t21-,22+/m1/s1
InChIKeyLWFGHODZFZEYLZ-ROJCUSIQSA-N
XLogP3.62
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-N-benzhydrylnitrone
CID 287127
(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 11811309
N-(2-methoxy-1-phenylethyl)-1-phenylmethanimine oxide
CID 14642518
(3S,4S)-2-pentan-3-ylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium bromide
CID 134883558
(2Z,3S,4S)-3-phenyl-4-phenylselanyl-2-propylidene-1,2-oxazolidin-2-ium bromide
CID 134883633
(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium bromide
CID 134883681
(2Z,3S,4S)-2-[(4-methylphenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium bromide
CID 134883775
(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium bromide
CID 134883777
(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine
CID 134984307
(3S,4S)-3-phenyl-2-(1-phenylpropyl)-4-phenylselanyl-1,2-oxazolidine
CID 134984686
(3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 134984687
(3S,4S)-2-[1-(4-methylphenyl)but-3-enyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 134985451

Frequently Asked Questions

What is the IUPAC name of (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
The IUPAC name of (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium (CID 134883682) is (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium.
What is the SMILES notation for (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
The canonical SMILES for (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium is C(\c1ccccc1)=[N+]1\OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
The InChIKey is LWFGHODZFZEYLZ-ROJCUSIQSA-N. The full InChI is InChI=1S/C22H20NOSe/c1-4-10-18(11-5-1)16-23-22(19-12-6-2-7-13-19)21(17-24-23)25-20-14-8-3-9-15-20/h1-16,21-22H,17H2/q+1/b23-16-/t21-,22+/m1/s1.
What are the key properties of (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium has a molecular weight of 393.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium is sourced from PubChem (CID 134883682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).