CAS 174500-20-0|2,6-bis[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine|2,6-bis[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine|2,6-Bis[(4S)-phenyl-2-(oxazolin-2-yl)]pyridine|2,6-双[(4S)-4-苯...

General Information

Structure

Molecular Formula

C₂₃H₁₉N₃O₂

Molecular Mass

369.41586

Exact Mass

369.14772686

Charge

InChI

InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1

InChIKey

HLHBIMJNCKZZQO-NHCUHLMSSA-N

Canonic Smiles

C1OC(=N[C@H]1c1ccccc1)c1cccc(n1)C1=N[C@H](CO1)c1ccccc1

Isomeric Smiles

c1(cccc(n1)C1=N[C@H](CO1)c1ccccc1)C1=N[C@H](CO1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.6876297

LogD (pH = 7.4)

4.765115

Log P

4.7662

Molar Refractivity

106.2807

Polarizability

41.01919

Polar Surface Area

56.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2,6-bis[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

IUPAC Traditional name

2,6-bis[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

Synonyms

2,6-Bis[(4S)-phenyl-2-(oxazolin-2-yl)]pyridine2,6-双[(4S)-4-苯基-2-噁唑啉基]吡啶2,6-Bis[(4S)-4-phenyl-2-oxazolinyl]pyridine(S,S)-2,6-Bis(4-phenyl-2-oxazolinyl)pyridine(S,S)-2,6-双(4,5-二氢-4-苯基-2-噁唑基)吡啶(S,S)-2,6-Bis(4,5-dihydro-4-phenyl-2-oxazolyl)pyridine(S,S)-2,6-双(4-苯基-2-噁唑啉基)吡啶

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

Registration numbers

Properties