5-octyl-2,3,3-triphenyl-1,2-oxazolidine

C29H35NO — CID 15851551

IUPAC5-octyl-2,3,3-triphenyl-1,2-oxazolidine
SMILESCCCCCCCCC1CC(c2ccccc2)(c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C29H35NO/c1-2-3-4-5-6-16-23-28-24-29(25-17-10-7-11-18-25,26-19-12-8-13-20-26)30(31-28)27-21-14-9-15-22-27/h7-15,17-22,28H,2-6,16,23-24H2,1H3
InChIKeyZKSADELYKKXADE-UHFFFAOYSA-N
MW413.61 g/mol
LogP7.89
Rot. Bonds10

About 5-octyl-2,3,3-triphenyl-1,2-oxazolidine

5-octyl-2,3,3-triphenyl-1,2-oxazolidine (PubChem CID 15851551) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is 5-octyl-2,3,3-triphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name5-octyl-2,3,3-triphenyl-1,2-oxazolidine
PubChem CID15851551
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name5-octyl-2,3,3-triphenyl-1,2-oxazolidine
SMILESCCCCCCCCC1CC(c2ccccc2)(c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C29H35NO/c1-2-3-4-5-6-16-23-28-24-29(25-17-10-7-11-18-25,26-19-12-8-13-20-26)30(31-28)27-21-14-9-15-22-27/h7-15,17-22,28H,2-6,16,23-24H2,1H3
InChIKeyZKSADELYKKXADE-UHFFFAOYSA-N
XLogP7.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 57.89
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

5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
3-hexyl-1-phenylcyclobutan-1-ol
CID 10585684
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 86747100
(4R,6R)-2,2-dimethyl-4-(2-phenylethyl)-6-undecyl-1,3-dioxane
CID 102467906
(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
CID 102011532
CID 102011532
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
2-pentadecyl-1-phenylcyclobutan-1-ol
CID 66721936
[1-(benzenesulfonyl)-2-octylcyclopropyl]methyl-trimethylsilane
CID 10339768

Frequently Asked Questions

What is the IUPAC name of 5-octyl-2,3,3-triphenyl-1,2-oxazolidine?
The IUPAC name of 5-octyl-2,3,3-triphenyl-1,2-oxazolidine (CID 15851551) is 5-octyl-2,3,3-triphenyl-1,2-oxazolidine.
What is the SMILES notation for 5-octyl-2,3,3-triphenyl-1,2-oxazolidine?
The canonical SMILES for 5-octyl-2,3,3-triphenyl-1,2-oxazolidine is CCCCCCCCC1CC(c2ccccc2)(c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of 5-octyl-2,3,3-triphenyl-1,2-oxazolidine?
The InChIKey is ZKSADELYKKXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-2-3-4-5-6-16-23-28-24-29(25-17-10-7-11-18-25,26-19-12-8-13-20-26)30(31-28)27-21-14-9-15-22-27/h7-15,17-22,28H,2-6,16,23-24H2,1H3.
What are the key properties of 5-octyl-2,3,3-triphenyl-1,2-oxazolidine?
5-octyl-2,3,3-triphenyl-1,2-oxazolidine has a molecular weight of 413.61 g/mol, XLogP of 7.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-2,3,3-triphenyl-1,2-oxazolidine is sourced from PubChem (CID 15851551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).