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1258650-75-7 | 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1258650-75-7 Catalog No: AG019W6X MDL No:MFCD17976968
Product Description
Catalog Number:
AG019W6X
Chemical Name:
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1258650-75-7
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD17976968
IUPAC Name:
2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C13H15N3O/c1-2-12-15-16-13(17-12)11-7-9-5-3-4-6-10(9)8-14-11/h3-6,11,14H,2,7-8H2,1H3
InChI Key:
WGWLZUXULQNFCP-UHFFFAOYSA-N
SMILES:
CCc1nnc(o1)C1NCc2c(C1)cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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