(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium

C22H19ClNOSe+ — CID 134883778

IUPAC(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
SMILESClc1ccc(/C=[N+]2\OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H19ClNOSe/c23-19-13-11-17(12-14-19)15-24-22(18-7-3-1-4-8-18)21(16-25-24)26-20-9-5-2-6-10-20/h1-15,21-22H,16H2/q+1/b24-15-/t21-,22+/m1/s1
InChIKeyCQKFGMSHMXVDNZ-VHBXHHEJSA-N
MW427.81 g/mol
LogP4.28
Rot. Bonds4

About (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium

(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium (PubChem CID 134883778) has the molecular formula C22H19ClNOSe+ and a molecular weight of 427.81 g/mol. Its IUPAC name is (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium.

Molecular Properties

Compound Name(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
PubChem CID134883778
Molecular FormulaC22H19ClNOSe+
Molecular Weight427.81 g/mol
Exact Mass428.03
IUPAC Name(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
SMILESClc1ccc(/C=[N+]2\OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H19ClNOSe/c23-19-13-11-17(12-14-19)15-24-22(18-7-3-1-4-8-18)21(16-25-24)26-20-9-5-2-6-10-20/h1-15,21-22H,16H2/q+1/b24-15-/t21-,22+/m1/s1
InChIKeyCQKFGMSHMXVDNZ-VHBXHHEJSA-N
XLogP4.28
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 54.28
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-[(4-chlorophenyl)methylidene]-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

(3S,4S)-2-[1-(4-chlorophenyl)ethyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 11751110
(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)-2-[1-(4-chlorophenyl)propyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 134983816
(3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 11224124
(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
CID 71492823
3-[(4-Chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 101452228
(2Z,3S,4S)-2-benzylidene-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
CID 134883682
(2Z,3S,4S)-2-[(4-methylphenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium
CID 134883776
N-benzhydryl-1-(4-chlorophenyl)methanimine oxide
CID 177549257

Frequently Asked Questions

What is the IUPAC name of (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
The IUPAC name of (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium (CID 134883778) is (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium.
What is the SMILES notation for (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
The canonical SMILES for (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium is Clc1ccc(/C=[N+]2\OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
The InChIKey is CQKFGMSHMXVDNZ-VHBXHHEJSA-N. The full InChI is InChI=1S/C22H19ClNOSe/c23-19-13-11-17(12-14-19)15-24-22(18-7-3-1-4-8-18)21(16-25-24)26-20-9-5-2-6-10-20/h1-15,21-22H,16H2/q+1/b24-15-/t21-,22+/m1/s1.
What are the key properties of (2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium?
(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium has a molecular weight of 427.81 g/mol, XLogP of 4.28, 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-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium is sourced from PubChem (CID 134883778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).