(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine

C17H19NO2 — CID 11119127

IUPAC(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine
SMILESCCO[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H19NO2/c1-2-19-17-13-16(14-9-5-3-6-10-14)18(20-17)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16-,17+/m1/s1
InChIKeyGOKVIMNWZMCYMH-SJORKVTESA-N
MW269.34 g/mol
LogP3.93
Rot. Bonds4

About (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine

(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine (PubChem CID 11119127) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine
PubChem CID11119127
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine
SMILESCCO[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H19NO2/c1-2-19-17-13-16(14-9-5-3-6-10-14)18(20-17)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16-,17+/m1/s1
InChIKeyGOKVIMNWZMCYMH-SJORKVTESA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-Fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate
CID 11335620
(3R,5R)-5-[(2-methylpropan-2-yl)oxy]-2,3-diphenyl-1,2-oxazolidine
CID 11044705
(3R,5S)-5-[(2-methylpropan-2-yl)oxy]-2,3-diphenyl-1,2-oxazolidine
CID 11055592
(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
CID 135054650
(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
CID 135055038
5-Acetoxy-2,3-diphenylisoxazolidine
CID 5260089
[3-(4-Nitrophenyl)-2-phenyl-isoxazolidin-5-yl] acetate
CID 5260094
2,3-Diphenyl-5-acetoxyisoxazolidene
CID 13027784
N-(4,4-diethoxy-1-phenylbutyl)aniline
CID 13776924
(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
2,3-diphenyl-5-methyl-5-(N-phenylhydroxylamino)isoxazolidine
CID 129794880

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine (CID 11119127) is (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine is CCO[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine?
The InChIKey is GOKVIMNWZMCYMH-SJORKVTESA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-19-17-13-16(14-9-5-3-6-10-14)18(20-17)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine?
(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine has a molecular weight of 269.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 11119127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).