(3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine

C21H19NO2 — CID 13169767

IUPAC(3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESc1ccc(CN2[C@@H](c3ccccc3)OO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c1-4-10-17(11-5-1)16-22-20(18-12-6-2-7-13-18)23-24-21(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+
InChIKeyGPITZUMLHAPFDR-OYRHEFFESA-N
MW317.39 g/mol
LogP4.85
Rot. Bonds4

About (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine

(3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine (PubChem CID 13169767) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine.

Molecular Properties

Compound Name(3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine
PubChem CID13169767
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESc1ccc(CN2[C@@H](c3ccccc3)OO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c1-4-10-17(11-5-1)16-22-20(18-12-6-2-7-13-18)23-24-21(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+
InChIKeyGPITZUMLHAPFDR-OYRHEFFESA-N
XLogP4.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine?
The IUPAC name of (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine (CID 13169767) is (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine.
What is the SMILES notation for (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine?
The canonical SMILES for (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine is c1ccc(CN2[C@@H](c3ccccc3)OO[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine?
The InChIKey is GPITZUMLHAPFDR-OYRHEFFESA-N. The full InChI is InChI=1S/C21H19NO2/c1-4-10-17(11-5-1)16-22-20(18-12-6-2-7-13-18)23-24-21(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+.
What are the key properties of (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine?
(3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine has a molecular weight of 317.39 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine is sourced from PubChem (CID 13169767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).