2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine

C11H16BNO — CID 599876

IUPAC2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine
SMILESCB1OC(c2ccccc2)C(C)N1C
InChIInChI=1S/C11H16BNO/c1-9-11(14-12(2)13(9)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKeyWFNPVRQGIYWJKV-UHFFFAOYSA-N
MW189.07 g/mol
LogP2.20
Rot. Bonds1

About 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine

2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine (PubChem CID 599876) has the molecular formula C11H16BNO and a molecular weight of 189.07 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine
PubChem CID599876
Molecular FormulaC11H16BNO
Molecular Weight189.07 g/mol
Exact Mass189.13
IUPAC Name2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine
SMILESCB1OC(c2ccccc2)C(C)N1C
InChIInChI=1S/C11H16BNO/c1-9-11(14-12(2)13(9)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKeyWFNPVRQGIYWJKV-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 52.20
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 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine?
The IUPAC name of 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine (CID 599876) is 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine.
What is the SMILES notation for 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine?
The canonical SMILES for 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine is CB1OC(c2ccccc2)C(C)N1C.
What is the InChIKey of 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine?
The InChIKey is WFNPVRQGIYWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO/c1-9-11(14-12(2)13(9)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3.
What are the key properties of 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine?
2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine has a molecular weight of 189.07 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 599876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).