(S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine

C17H19BNO — CID 11288959

IUPAC—
SMILESCC(C)[C@@H]1N[B]OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19BNO/c1-13(2)16-17(20-18-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,1-2H3/t16-/m0/s1
InChIKeyLANIOALNLBDESP-INIZCTEOSA-N
MW264.16 g/mol
LogP3.11
Rot. Bonds3

About (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine

(S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine (PubChem CID 11288959) has the molecular formula C17H19BNO and a molecular weight of 264.16 g/mol.

Molecular Properties

Compound Name(S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine
PubChem CID11288959
Molecular FormulaC17H19BNO
Molecular Weight264.16 g/mol
Exact Mass264.16
IUPAC Name—
SMILESCC(C)[C@@H]1N[B]OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19BNO/c1-13(2)16-17(20-18-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,1-2H3/t16-/m0/s1
InChIKeyLANIOALNLBDESP-INIZCTEOSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 53.11
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 (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine?
The IUPAC name of (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine (CID 11288959) is not available.
What is the SMILES notation for (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine?
The canonical SMILES for (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine is CC(C)[C@@H]1N[B]OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine?
The InChIKey is LANIOALNLBDESP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19BNO/c1-13(2)16-17(20-18-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,1-2H3/t16-/m0/s1.
What are the key properties of (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine?
(S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine has a molecular weight of 264.16 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 11288959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).