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Home > Indoles and Oxindole > 82076-05-9
82076-05-9 | 1H-Indole, 3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-
CAS No: 82076-05-9 Catalog No: AG004X4D MDL No:
Product Description
Catalog Number:
AG004X4D
Chemical Name:
1H-Indole, 3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-
CAS Number:
82076-05-9
Molecular Formula:
C18H15N3O
Molecular Weight:
289.3312
IUPAC Name:
5-[2-(1H-indol-3-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C18H15N3O/c1-2-6-13(7-3-1)18-20-17(22-21-18)11-10-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2
InChI Key:
REWFGEINWIEGIW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1noc(n1)CCc1c[nH]c2c1cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.338g/mol
Monoisotopic Mass:
289.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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