(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine

C22H21NOSe — CID 11811309

IUPAC(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESc1ccc(CN2OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NOSe/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/h1-15,21-22H,16-17H2/t21-,22+/m1/s1
InChIKeyYVXLKSHVLRWBPI-YADHBBJMSA-N
MW394.38 g/mol
LogP3.99
Rot. Bonds5

About (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine

(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine (PubChem CID 11811309) has the molecular formula C22H21NOSe and a molecular weight of 394.38 g/mol. Its IUPAC name is (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
PubChem CID11811309
Molecular FormulaC22H21NOSe
Molecular Weight394.38 g/mol
Exact Mass395.08
IUPAC Name(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESc1ccc(CN2OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NOSe/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/h1-15,21-22H,16-17H2/t21-,22+/m1/s1
InChIKeyYVXLKSHVLRWBPI-YADHBBJMSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.99
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

(1S,2R,4R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 704394
2-Methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 4367643
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(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,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
N,N,O-tribenzylhydroxylamine
CID 12045651
3-(2-Fluorophenyl)-2-methyl-1,2-oxazolidine
CID 129018500

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine (CID 11811309) is (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine is c1ccc(CN2OC[C@@H]([Se]c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The InChIKey is YVXLKSHVLRWBPI-YADHBBJMSA-N. The full InChI is InChI=1S/C22H21NOSe/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/h1-15,21-22H,16-17H2/t21-,22+/m1/s1.
What are the key properties of (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
(3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine has a molecular weight of 394.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-benzyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine is sourced from PubChem (CID 11811309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).