(4R,5R)-4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine

ID: ALA256023

PubChem CID: 44455670

Max Phase: Preclinical

Molecular Formula: C15H16BNO

Molecular Weight: 237.11

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C[C@H]1NB(c2ccccc2)O[C@@H]1c1ccccc1

Standard InChI:  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/t12-,15+/m1/s1

Standard InChI Key:  HHJCYJBOQILYAU-DOMZBBRYSA-N

Molfile:  

     RDKit          2D

 18 20  0  0  1  0  0  0  0  0999 V2000
   11.2101    1.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934    0.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6836    0.0394    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   12.3268    0.5561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0342    1.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5126    1.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5477    2.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    2.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1194    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0885    1.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7856    1.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7234   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285   -1.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0679   -2.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8023   -2.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4983   -1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4554   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4864    2.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  2  0
  4  5  1  0
  9 10  1  0
  5  1  1  0
 10 11  2  0
 11  6  1  0
  1  2  1  0
  3 12  1  0
  1  6  1  6
 12 13  2  0
 13 14  1  0
  6  7  2  0
 14 15  2  0
  2  3  1  0
 15 16  1  0
  7  8  1  0
 16 17  2  0
 17 12  1  0
  3  4  1  0
  5 18  1  1
M  END

Alternative Forms

1. Parent:

   

   ALA256023

   (4R,5R)-4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 237.11

Molecular Weight (Monoisotopic): 237.1325

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References

1. Aharoni R, Bronstheyn M, Jabbour A, Zaks B, Srebnik M, Steinberg D..  (2008)  Oxazaborolidine derivatives inducing autoinducer-2 signal transduction in Vibrio harveyi.,  16  (4): [PMID:18053731] [10.1016/j.bmc.2007.11.032]

Source

Source(1):

• Scientific Literature