(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine

C22H29NO — CID 11034663

IUPAC(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
SMILESCCCCCC[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C22H29NO/c1-2-3-4-11-16-21-17-22(20-14-9-6-10-15-20)23(24-21)18-19-12-7-5-8-13-19/h5-10,12-15,21-22H,2-4,11,16-18H2,1H3/t21-,22-/m1/s1
InChIKeyBDHTXSCWIFKICF-FGZHOGPDSA-N
MW323.48 g/mol
LogP5.90
Rot. Bonds8

About (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine

(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine (PubChem CID 11034663) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
PubChem CID11034663
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
SMILESCCCCCC[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C22H29NO/c1-2-3-4-11-16-21-17-22(20-14-9-6-10-15-20)23(24-21)18-19-12-7-5-8-13-19/h5-10,12-15,21-22H,2-4,11,16-18H2,1H3/t21-,22-/m1/s1
InChIKeyBDHTXSCWIFKICF-FGZHOGPDSA-N
XLogP5.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.90
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

(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
1-benzyl-3-decyl-2H-imidazole
CID 69393600
(4R,6R)-2,2-dimethyl-4-(2-phenylethyl)-6-undecyl-1,3-dioxane
CID 102467906
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
CID 102011532
CID 102011532
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
(4S,6S)-3-benzyl-4-(3,3-dimethoxypropyl)-6-nonyl-1,3-oxazinan-2-one
CID 11270088
1-benzyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389183

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine (CID 11034663) is (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine is CCCCCC[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine?
The InChIKey is BDHTXSCWIFKICF-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H29NO/c1-2-3-4-11-16-21-17-22(20-14-9-6-10-15-20)23(24-21)18-19-12-7-5-8-13-19/h5-10,12-15,21-22H,2-4,11,16-18H2,1H3/t21-,22-/m1/s1.
What are the key properties of (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine?
(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine has a molecular weight of 323.48 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 11034663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).