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90300-05-3 | 1,3,4-Oxadiazol-2-amine, 5-[1-(4-methylphenoxy)ethyl]-N-phenyl-
CAS No: 90300-05-3 Catalog No: AG006G09 MDL No:
Product Description
Catalog Number:
AG006G09
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-[1-(4-methylphenoxy)ethyl]-N-phenyl-
CAS Number:
90300-05-3
Molecular Formula:
C17H17N3O2
Molecular Weight:
295.3358
IUPAC Name:
5-[1-(4-methylphenoxy)ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C17H17N3O2/c1-12-8-10-15(11-9-12)21-13(2)16-19-20-17(22-16)18-14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,20)
InChI Key:
ROPCMSWSSTZFBP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OC(c1nnc(o1)Nc1ccccc1)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.342g/mol
Monoisotopic Mass:
295.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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