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126006-85-7 | 1,3,4-Oxadiazol-2-amine, 5-[([1,1'-biphenyl]-4-yloxy)methyl]-N-(2,4-dimethylphenyl)-
CAS No: 126006-85-7 Catalog No: AG000QQP MDL No:
Product Description
Catalog Number:
AG000QQP
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-[([1,1'-biphenyl]-4-yloxy)methyl]-N-(2,4-dimethylphenyl)-
CAS Number:
126006-85-7
Molecular Formula:
C23H21N3O2
Molecular Weight:
371.4317
IUPAC Name:
N-(2,4-dimethylphenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C23H21N3O2/c1-16-8-13-21(17(2)14-16)24-23-26-25-22(28-23)15-27-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)
InChI Key:
JBRBPRNSKBWSQT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)Nc1nnc(o1)COc1ccc(cc1)c1ccccc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.44g/mol
Monoisotopic Mass:
371.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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