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

C16H17NO2 — CID 13169761

IUPAC(3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESCCN1[C@@H](c2ccccc2)OO[C@H]1c1ccccc1
InChIInChI=1S/C16H17NO2/c1-2-17-15(13-9-5-3-6-10-13)18-19-16(17)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3/t15-,16+
InChIKeyBJNAZZYMTNJYAR-IYBDPMFKSA-N
MW255.32 g/mol
LogP3.67
Rot. Bonds3

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

(3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine (PubChem CID 13169761) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine.

Molecular Properties

Compound Name(3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine
PubChem CID13169761
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESCCN1[C@@H](c2ccccc2)OO[C@H]1c1ccccc1
InChIInChI=1S/C16H17NO2/c1-2-17-15(13-9-5-3-6-10-13)18-19-16(17)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3/t15-,16+
InChIKeyBJNAZZYMTNJYAR-IYBDPMFKSA-N
XLogP3.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.67
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

3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
2-(Benzyl(methyl)amino)-1-phenylethanol
CID 10466877
2-(Benzyl(2-hydroxyethyl)amino)-1-phenylethanol
CID 3869797
3-[Benzyl(methyl)amino]-1-phenylpropan-1-ol
CID 15678556
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
1-Benzyl-1-ethyl-3-phenylmethoxyurea
CID 45874038
(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 71458445
benzyl N-benzyl-N-propylcarbamate
CID 15164396
(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol
CID 102170797
1-Benzyl-2-(1-fluoro-4-phenylmethoxybut-1-enyl)pyrrolidine
CID 134848718
1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine
CID 86573275
2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
CID 11514657

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine?
The IUPAC name of (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine (CID 13169761) is (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine.
What is the SMILES notation for (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine?
The canonical SMILES for (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine is CCN1[C@@H](c2ccccc2)OO[C@H]1c1ccccc1.
What is the InChIKey of (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine?
The InChIKey is BJNAZZYMTNJYAR-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-17-15(13-9-5-3-6-10-13)18-19-16(17)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3/t15-,16+.
What are the key properties of (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine?
(3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine has a molecular weight of 255.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine is sourced from PubChem (CID 13169761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).