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Home > Indoles and Oxindole > 1807542-84-2
1807542-84-2 | 1H-Indole, 3-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-1-(1-pyrrolidinylmethyl)-
CAS No: 1807542-84-2 Catalog No: AG0022B8 MDL No:
Product Description
Catalog Number:
AG0022B8
Chemical Name:
1H-Indole, 3-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-1-(1-pyrrolidinylmethyl)-
CAS Number:
1807542-84-2
Molecular Formula:
C22H22N4O
Molecular Weight:
358.4363
IUPAC Name:
3-benzyl-5-[1-(pyrrolidin-1-ylmethyl)indol-3-yl]-1,2,4-oxadiazole
InChI:
InChI=1S/C22H22N4O/c1-2-8-17(9-3-1)14-21-23-22(27-24-21)19-15-26(16-25-12-6-7-13-25)20-11-5-4-10-18(19)20/h1-5,8-11,15H,6-7,12-14,16H2
InChI Key:
KZZLUOVTEYWZGH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cc1noc(n1)c1cn(c2c1cccc2)CN1CCCC1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.445g/mol
Monoisotopic Mass:
358.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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