(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine

C18H21NO2 — CID 13118869

IUPAC(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESCCCCN1[C@@H](c2ccccc2)OO[C@@H]1c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-3-14-19-17(15-10-6-4-7-11-15)20-21-18(19)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m1/s1
InChIKeyCLAYGIUSQFPTAQ-QZTJIDSGSA-N
MW283.37 g/mol
LogP4.45
Rot. Bonds5

About (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine

(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine (PubChem CID 13118869) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine.

Molecular Properties

Compound Name(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine
PubChem CID13118869
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESCCCCN1[C@@H](c2ccccc2)OO[C@@H]1c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-3-14-19-17(15-10-6-4-7-11-15)20-21-18(19)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m1/s1
InChIKeyCLAYGIUSQFPTAQ-QZTJIDSGSA-N
XLogP4.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
2-(Benzyl(methyl)amino)-1-phenylethanol
CID 10466877
2-(Benzyl(2-hydroxyethyl)amino)-1-phenylethanol
CID 3869797
3-[Benzyl(methyl)amino]-1-phenylpropan-1-ol
CID 15678556
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
1-Benzyl-1-ethyl-3-phenylmethoxyurea
CID 45874038
(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 71458445
benzyl N-benzyl-N-propylcarbamate
CID 15164396
(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol
CID 102170797
1-Benzyl-2-(1-fluoro-4-phenylmethoxybut-1-enyl)pyrrolidine
CID 134848718
1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine
CID 86573275
2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
CID 11514657

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine?
The IUPAC name of (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine (CID 13118869) is (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine.
What is the SMILES notation for (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine?
The canonical SMILES for (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine is CCCCN1[C@@H](c2ccccc2)OO[C@@H]1c1ccccc1.
What is the InChIKey of (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine?
The InChIKey is CLAYGIUSQFPTAQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-3-14-19-17(15-10-6-4-7-11-15)20-21-18(19)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m1/s1.
What are the key properties of (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine?
(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine has a molecular weight of 283.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine is sourced from PubChem (CID 13118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).