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312624-05-8 | 2,6-Bis[(4R,5R)-4-methyl-5-phenyl-2-oxazolinyl]pyridine
CAS No: 312624-05-8 Catalog No: AG00330W MDL No:
Product Description
Catalog Number:
AG00330W
Chemical Name:
2,6-Bis[(4R,5R)-4-methyl-5-phenyl-2-oxazolinyl]pyridine
CAS Number:
312624-05-8
Molecular Formula:
C25H23N3O2
Molecular Weight:
397.4690
IUPAC Name:
(4R,5R)-4-methyl-2-[6-[(4R,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C25H23N3O2/c1-16-22(18-10-5-3-6-11-18)29-24(26-16)20-14-9-15-21(28-20)25-27-17(2)23(30-25)19-12-7-4-8-13-19/h3-17,22-23H,1-2H3/t16-,17-,22+,23+/m1/s1
InChI Key:
WAQJMWVRZVOTCH-AFXFGAOOSA-N
SMILES:
C[C@H]1N=C(O[C@@H]1c1ccccc1)c1cccc(n1)C1=N[C@@H]([C@H](O1)c1ccccc1)C
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
397.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.478g/mol
Monoisotopic Mass:
397.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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