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

C17H15NO — CID 40522680

IUPAC(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine
SMILESC#C[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H15NO/c1-2-16-13-17(14-9-5-3-6-10-14)18(19-16)15-11-7-4-8-12-15/h1,3-12,16-17H,13H2/t16-,17-/m1/s1
InChIKeyUZCYRRIWVSZKOX-IAGOWNOFSA-N
MW249.31 g/mol
LogP3.57
Rot. Bonds2

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

(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine (PubChem CID 40522680) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine
PubChem CID40522680
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine
SMILESC#C[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H15NO/c1-2-16-13-17(14-9-5-3-6-10-14)18(19-16)15-11-7-4-8-12-15/h1,3-12,16-17H,13H2/t16-,17-/m1/s1
InChIKeyUZCYRRIWVSZKOX-IAGOWNOFSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine
CID 134938194
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile
CID 102077139
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
4-ethynyl-2-phenyl-1,3-dioxolane
CID 85419917
(3R,5R)-2,5-diphenyl-1,2-oxazolidin-3-amine
CID 139232503
1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone
CID 10732763
(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
CID 11558094
3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
CID 162534654
4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 2768898
5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine
CID 64937441
[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
CID 11381971

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine (CID 40522680) is (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine is C#C[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine?
The InChIKey is UZCYRRIWVSZKOX-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-16-13-17(14-9-5-3-6-10-14)18(19-16)15-11-7-4-8-12-15/h1,3-12,16-17H,13H2/t16-,17-/m1/s1.
What are the key properties of (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine?
(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine has a molecular weight of 249.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 40522680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).