4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine

C20H23NO2 — CID 10335511

IUPAC4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESc1ccc(C2OOC(c3ccccc3)N2C2CCCCC2)cc1
InChIInChI=1S/C20H23NO2/c1-4-10-16(11-5-1)19-21(18-14-8-3-9-15-18)20(23-22-19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2
InChIKeyLAILCXWKQUKBNA-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.98
Rot. Bonds3

About 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine

4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine (PubChem CID 10335511) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine.

Molecular Properties

Compound Name4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
PubChem CID10335511
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
SMILESc1ccc(C2OOC(c3ccccc3)N2C2CCCCC2)cc1
InChIInChI=1S/C20H23NO2/c1-4-10-16(11-5-1)19-21(18-14-8-3-9-15-18)20(23-22-19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2
InChIKeyLAILCXWKQUKBNA-UHFFFAOYSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.98
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

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(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine?
The IUPAC name of 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine (CID 10335511) is 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine.
What is the SMILES notation for 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine?
The canonical SMILES for 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine is c1ccc(C2OOC(c3ccccc3)N2C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine?
The InChIKey is LAILCXWKQUKBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-10-16(11-5-1)19-21(18-14-8-3-9-15-18)20(23-22-19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2.
What are the key properties of 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine?
4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine has a molecular weight of 309.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine is sourced from PubChem (CID 10335511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).