3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine

C16H18BNO — CID 616862

IUPAC3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine
SMILESCC1C(c2ccccc2)OB(c2ccccc2)N1C
InChIInChI=1S/C16H18BNO/c1-13-16(14-9-5-3-6-10-14)19-17(18(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyRHEOVNWEAAUANC-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.47
Rot. Bonds2

About 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine

3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine (PubChem CID 616862) has the molecular formula C16H18BNO and a molecular weight of 251.14 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine
PubChem CID616862
Molecular FormulaC16H18BNO
Molecular Weight251.14 g/mol
Exact Mass251.15
IUPAC Name3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine
SMILESCC1C(c2ccccc2)OB(c2ccccc2)N1C
InChIInChI=1S/C16H18BNO/c1-13-16(14-9-5-3-6-10-14)19-17(18(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyRHEOVNWEAAUANC-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine?
The IUPAC name of 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine (CID 616862) is 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine.
What is the SMILES notation for 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine?
The canonical SMILES for 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine is CC1C(c2ccccc2)OB(c2ccccc2)N1C.
What is the InChIKey of 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine?
The InChIKey is RHEOVNWEAAUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BNO/c1-13-16(14-9-5-3-6-10-14)19-17(18(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3.
What are the key properties of 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine?
3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine has a molecular weight of 251.14 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 616862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).