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

C15H15NO2 — CID 13169764

IUPAC(3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESCN1[C@@H](c2ccccc2)OO[C@H]1c1ccccc1
InChIInChI=1S/C15H15NO2/c1-16-14(12-8-4-2-5-9-12)17-18-15(16)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+
InChIKeyYHNWUINNRYQUPB-GASCZTMLSA-N
MW241.29 g/mol
LogP3.28
Rot. Bonds2

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

(3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine (PubChem CID 13169764) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine.

Molecular Properties

Compound Name(3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine
PubChem CID13169764
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESCN1[C@@H](c2ccccc2)OO[C@H]1c1ccccc1
InChIInChI=1S/C15H15NO2/c1-16-14(12-8-4-2-5-9-12)17-18-15(16)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+
InChIKeyYHNWUINNRYQUPB-GASCZTMLSA-N
XLogP3.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-phenyl-1,3-oxazolidine
CID 98113
3-Ethyl-2-phenyl-1,3-oxazolidine
CID 567725
1-Benzyl-2-(1-fluoro-4-phenylmethoxybut-1-enyl)pyrrolidine
CID 134848718
1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine
CID 86573275
Dimethylamino(phenyl)methanol
CID 11263586
3-Benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 11436708
N,N,O-tribenzylhydroxylamine
CID 12045651
[Hydroxy(diphenyl)methyl]pyrrolidin
CID 13928839
1-methoxy-N,N-dimethyl-1-phenylmethanamine
CID 116914419
Tris-(hydroxybenzyl)-amin
CID 129648776
N-benzyl-N-phenylmethoxypropan-2-amine
CID 134883639
1-[Methoxy(phenyl)methyl]piperidine
CID 135035543

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine?
The IUPAC name of (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine (CID 13169764) is (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine.
What is the SMILES notation for (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine?
The canonical SMILES for (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine is CN1[C@@H](c2ccccc2)OO[C@H]1c1ccccc1.
What is the InChIKey of (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine?
The InChIKey is YHNWUINNRYQUPB-GASCZTMLSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16-14(12-8-4-2-5-9-12)17-18-15(16)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+.
What are the key properties of (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine?
(3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine has a molecular weight of 241.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine is sourced from PubChem (CID 13169764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).