(4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine

C10H14BNO — CID 15250254

IUPAC(4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine
SMILESCB1N[C@@H](C)[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H14BNO/c1-8-10(13-11(2)12-8)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t8-,10-/m0/s1
InChIKeyOQDWIXJPZPWSIC-WPRPVWTQSA-N
MW175.04 g/mol
LogP1.85
Rot. Bonds1

About (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine

(4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine (PubChem CID 15250254) has the molecular formula C10H14BNO and a molecular weight of 175.04 g/mol. Its IUPAC name is (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name(4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine
PubChem CID15250254
Molecular FormulaC10H14BNO
Molecular Weight175.04 g/mol
Exact Mass175.12
IUPAC Name(4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine
SMILESCB1N[C@@H](C)[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H14BNO/c1-8-10(13-11(2)12-8)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t8-,10-/m0/s1
InChIKeyOQDWIXJPZPWSIC-WPRPVWTQSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.04
LogP ≤ 51.85
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 (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine?
The IUPAC name of (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine (CID 15250254) is (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine.
What is the SMILES notation for (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine?
The canonical SMILES for (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine is CB1N[C@@H](C)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine?
The InChIKey is OQDWIXJPZPWSIC-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H14BNO/c1-8-10(13-11(2)12-8)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t8-,10-/m0/s1.
What are the key properties of (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine?
(4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine has a molecular weight of 175.04 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 15250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).