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131457-46-0 | Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-phenyl-, (4S,4'S)-
CAS No: 131457-46-0 Catalog No: AG000W7O MDL No:MFCD00192245
Product Description
Catalog Number:
AG000W7O
Chemical Name:
Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-phenyl-, (4S,4'S)-
CAS Number:
131457-46-0
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
MDL Number:
MFCD00192245
IUPAC Name:
(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
InChI Key:
JTNVCJCSECAMLD-QZTJIDSGSA-N
SMILES:
CC(C1=N[C@H](CO1)c1ccccc1)(C1=N[C@H](CO1)c1ccccc1)C
UNII:
6Q4X8PAO1T
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Influence of counterions on the structure of bis(oxazoline)copper(II) complexes; an EPR and ENDOR investigation. | Dalton transactions (Cambridge, England : 2003) 20120828 |
| On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines. | Organic & biomolecular chemistry 20110221 |
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