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Home > Indoles and Oxindole > 82076-03-7
82076-03-7 | 1H-Indole, 3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-
CAS No: 82076-03-7 Catalog No: AG005C69 MDL No:
Product Description
Catalog Number:
AG005C69
Chemical Name:
1H-Indole, 3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-
CAS Number:
82076-03-7
Molecular Formula:
C18H15N3O
Molecular Weight:
289.3312
IUPAC Name:
5-(1H-indol-3-ylmethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C18H15N3O/c1-12-5-4-6-13(9-12)18-20-17(22-21-18)10-14-11-19-16-8-3-2-7-15(14)16/h2-9,11,19H,10H2,1H3
InChI Key:
YFBZEYNDFZDYQV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1noc(n1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
377
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:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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