(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine

C23H31NO — CID 11002237

IUPAC(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
SMILESCCCCCCCC[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C23H31NO/c1-2-3-4-5-6-13-18-22-19-23(20-14-9-7-10-15-20)24(25-22)21-16-11-8-12-17-21/h7-12,14-17,22-23H,2-6,13,18-19H2,1H3/t22-,23-/m0/s1
InChIKeyJOLWWCYBRMREAY-GOTSBHOMSA-N
MW337.51 g/mol
LogP6.69
Rot. Bonds9

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

(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine (PubChem CID 11002237) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
PubChem CID11002237
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
SMILESCCCCCCCC[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C23H31NO/c1-2-3-4-5-6-13-18-22-19-23(20-14-9-7-10-15-20)24(25-22)21-16-11-8-12-17-21/h7-12,14-17,22-23H,2-6,13,18-19H2,1H3/t22-,23-/m0/s1
InChIKeyJOLWWCYBRMREAY-GOTSBHOMSA-N
XLogP6.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
CID 11034663
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
CID 102011532
CID 102011532
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
5-octyl-2,3,3-triphenyl-1,2-oxazolidine
CID 15851551
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine
CID 40522680
[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
CID 11381971
(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine?
The IUPAC name of (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine (CID 11002237) is (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine.
What is the SMILES notation for (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine?
The canonical SMILES for (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine is CCCCCCCC[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine?
The InChIKey is JOLWWCYBRMREAY-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-3-4-5-6-13-18-22-19-23(20-14-9-7-10-15-20)24(25-22)21-16-11-8-12-17-21/h7-12,14-17,22-23H,2-6,13,18-19H2,1H3/t22-,23-/m0/s1.
What are the key properties of (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine?
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine has a molecular weight of 337.51 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 11002237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).