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Home > Pyridines > 1311314-18-7
1311314-18-7 | 1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane dihydrochloride
CAS No: 1311314-18-7 Catalog No: AG01AIMD MDL No:MFCD18917329
Product Description
Catalog Number:
AG01AIMD
Chemical Name:
1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane dihydrochloride
CAS Number:
1311314-18-7
Molecular Formula:
C14H18Cl2N4O
Molecular Weight:
329.2249
MDL Number:
MFCD18917329
IUPAC Name:
5-(6-azaspiro[2.5]octan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C14H16N4O.2ClH/c1-2-10(9-16-5-1)12-17-13(19-18-12)11-8-14(11)3-6-15-7-4-14;;/h1-2,5,9,11,15H,3-4,6-8H2;2*1H
InChI Key:
VTFTVCAHFFUQIH-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)CC2c1onc(n1)c1cccnc1.Cl.Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
329.225g/mol
Monoisotopic Mass:
328.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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