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3073-87-8 | Oxazole, 2,2'-(1,4-phenylene)bis[4-methyl-5-phenyl-
CAS No: 3073-87-8 Catalog No: AG00312E MDL No:MFCD00005310
Product Description
Catalog Number:
AG00312E
Chemical Name:
Oxazole, 2,2'-(1,4-phenylene)bis[4-methyl-5-phenyl-
CAS Number:
3073-87-8
Molecular Formula:
C26H20N2O2
Molecular Weight:
392.4492
MDL Number:
MFCD00005310
IUPAC Name:
4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
InChI:
InChI=1S/C26H20N2O2/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20/h3-16H,1-2H3
InChI Key:
VLDFXDUAENINOO-UHFFFAOYSA-N
SMILES:
Cc1nc(oc1c1ccccc1)c1ccc(cc1)c1nc(c(o1)c1ccccc1)C
EC Number:
221-349-7
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.152g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.458g/mol
Monoisotopic Mass:
392.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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