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

C15H16BNO — CID 613678

IUPAC4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine
SMILESCC1NB(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C15H16BNO/c1-12-15(13-8-4-2-5-9-13)18-16(17-12)14-10-6-3-7-11-14/h2-12,15,17H,1H3
InChIKeyHHJCYJBOQILYAU-UHFFFAOYSA-N
MW237.11 g/mol
LogP2.13
Rot. Bonds2

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

4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine (PubChem CID 613678) has the molecular formula C15H16BNO and a molecular weight of 237.11 g/mol. Its IUPAC name is 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine
PubChem CID613678
Molecular FormulaC15H16BNO
Molecular Weight237.11 g/mol
Exact Mass237.13
IUPAC Name4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine
SMILESCC1NB(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C15H16BNO/c1-12-15(13-8-4-2-5-9-13)18-16(17-12)14-10-6-3-7-11-14/h2-12,15,17H,1H3
InChIKeyHHJCYJBOQILYAU-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
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 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine?
The IUPAC name of 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine (CID 613678) is 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine.
What is the SMILES notation for 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine?
The canonical SMILES for 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine is CC1NB(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine?
The InChIKey is HHJCYJBOQILYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BNO/c1-12-15(13-8-4-2-5-9-13)18-16(17-12)14-10-6-3-7-11-14/h2-12,15,17H,1H3.
What are the key properties of 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine?
4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine has a molecular weight of 237.11 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 613678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).