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1258639-40-5 | 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1258639-40-5 Catalog No: AG019W6W MDL No:MFCD17976967
Product Description
Catalog Number:
AG019W6W
Chemical Name:
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1258639-40-5
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD17976967
IUPAC Name:
2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C12H13N3O/c1-8-14-15-12(16-8)11-6-9-4-2-3-5-10(9)7-13-11/h2-5,11,13H,6-7H2,1H3
InChI Key:
OEICBVMYDPSCBA-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)C1NCc2c(C1)cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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