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

C28H25NOSe — CID 134984687

IUPAC(3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESc1ccc([Se][C@@H]2CON(C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H25NOSe/c1-5-13-22(14-6-1)27(23-15-7-2-8-16-23)29-28(24-17-9-3-10-18-24)26(21-30-29)31-25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,28+/m1/s1
InChIKeyWBQJZYRYORMFPD-IAPPQJPRSA-N
MW470.47 g/mol
LogP5.58
Rot. Bonds6

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

(3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine (PubChem CID 134984687) has the molecular formula C28H25NOSe and a molecular weight of 470.47 g/mol. Its IUPAC name is (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
PubChem CID134984687
Molecular FormulaC28H25NOSe
Molecular Weight470.47 g/mol
Exact Mass471.11
IUPAC Name(3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESc1ccc([Se][C@@H]2CON(C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H25NOSe/c1-5-13-22(14-6-1)27(23-15-7-2-8-16-23)29-28(24-17-9-3-10-18-24)26(21-30-29)31-25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,28+/m1/s1
InChIKeyWBQJZYRYORMFPD-IAPPQJPRSA-N
XLogP5.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

(1S,2R,4R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 704394
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
(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
(3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine
CID 10935970
(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
(3R,5R)-2-benzyl-3,5-diphenyl-1,2-oxazolidine
CID 12140991
N,N-dibenzhydrylhydroxylamine
CID 15203608
(3R,5S)-2-benzyl-5-(iodomethyl)-3-phenyl-1,2-oxazolidine
CID 21582104

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine (CID 134984687) is (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine is c1ccc([Se][C@@H]2CON(C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The InChIKey is WBQJZYRYORMFPD-IAPPQJPRSA-N. The full InChI is InChI=1S/C28H25NOSe/c1-5-13-22(14-6-1)27(23-15-7-2-8-16-23)29-28(24-17-9-3-10-18-24)26(21-30-29)31-25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,28+/m1/s1.
What are the key properties of (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
(3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine has a molecular weight of 470.47 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-benzhydryl-3-phenyl-4-phenylselanyl-1,2-oxazolidine is sourced from PubChem (CID 134984687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).