(3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine

C22H20ClNOSe — CID 11224124

IUPAC(3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESClc1ccc(CN2OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20ClNOSe/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/h1-14,21-22H,15-16H2/t21-,22+/m1/s1
InChIKeyKPMQKYXIAOLAAJ-YADHBBJMSA-N
MW428.82 g/mol
LogP4.65
Rot. Bonds5

About (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine

(3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine (PubChem CID 11224124) has the molecular formula C22H20ClNOSe and a molecular weight of 428.82 g/mol. Its IUPAC name is (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
PubChem CID11224124
Molecular FormulaC22H20ClNOSe
Molecular Weight428.82 g/mol
Exact Mass429.04
IUPAC Name(3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESClc1ccc(CN2OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20ClNOSe/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/h1-14,21-22H,15-16H2/t21-,22+/m1/s1
InChIKeyKPMQKYXIAOLAAJ-YADHBBJMSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.82
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
[(3S,4S)-2-benzyl-3-(4-chlorophenyl)-1,2-oxazolidin-4-yl]methanol
CID 11716435
(3S,4S)-2-[1-(4-chlorophenyl)ethyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 11751110
(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 11811309
(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-(3-methylpentan-3-yl)-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 134983817
(3S,4S)-3-phenyl-2-(1-phenylethyl)-4-phenylselanyl-1,2-oxazolidine
CID 134984307
(3S,4S)-2-butan-2-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 134984308

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine (CID 11224124) is (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine is Clc1ccc(CN2OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The InChIKey is KPMQKYXIAOLAAJ-YADHBBJMSA-N. The full InChI is InChI=1S/C22H20ClNOSe/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/h1-14,21-22H,15-16H2/t21-,22+/m1/s1.
What are the key properties of (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
(3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine has a molecular weight of 428.82 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-[(4-chlorophenyl)methyl]-3-phenyl-4-phenylselanyl-1,2-oxazolidine is sourced from PubChem (CID 11224124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).