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126006-83-5 | 1,3,4-Oxadiazol-2-amine, 5-[([1,1'-biphenyl]-4-yloxy)methyl]-N-(3-methylphenyl)-
CAS No: 126006-83-5 Catalog No: AG000QQR MDL No:
Product Description
Catalog Number:
AG000QQR
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-[([1,1'-biphenyl]-4-yloxy)methyl]-N-(3-methylphenyl)-
CAS Number:
126006-83-5
Molecular Formula:
C22H19N3O2
Molecular Weight:
357.4052
IUPAC Name:
N-(3-methylphenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C22H19N3O2/c1-16-6-5-9-19(14-16)23-22-25-24-21(27-22)15-26-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChI Key:
ZXQMWSDONKHCQV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Nc1nnc(o1)COc1ccc(cc1)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.148g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.413g/mol
Monoisotopic Mass:
357.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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