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Home > Indoles and Oxindole > 82076-01-5
82076-01-5 | 1H-Indole, 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-
CAS No: 82076-01-5 Catalog No: AG0052P0 MDL No:
Product Description
Catalog Number:
AG0052P0
Chemical Name:
1H-Indole, 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-
CAS Number:
82076-01-5
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
IUPAC Name:
5-(1H-indol-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C17H13N3O/c1-2-6-12(7-3-1)17-19-16(21-20-17)10-13-11-18-15-9-5-4-8-14(13)15/h1-9,11,18H,10H2
InChI Key:
ZWQUTWWYVMDEQI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1noc(n1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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