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138528-22-0 | 1,2,4-Oxadiazole, 5,5'-(1,2-ethanediyl)bis[3-(4-methylphenyl)-
CAS No: 138528-22-0 Catalog No: AG0019D7 MDL No:
Product Description
Catalog Number:
AG0019D7
Chemical Name:
1,2,4-Oxadiazole, 5,5'-(1,2-ethanediyl)bis[3-(4-methylphenyl)-
CAS Number:
138528-22-0
Molecular Formula:
C20H18N4O2
Molecular Weight:
346.3825
IUPAC Name:
3-(4-methylphenyl)-5-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C20H18N4O2/c1-13-3-7-15(8-4-13)19-21-17(25-23-19)11-12-18-22-20(24-26-18)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChI Key:
KBCLNQKXBXNUJN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)CCc1onc(n1)c1ccc(cc1)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.39g/mol
Monoisotopic Mass:
346.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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