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1638612-44-8 | 3-[5-(pyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine hydrochloride
CAS No: 1638612-44-8 Catalog No: AG00J0N5 MDL No:MFCD28155259
Product Description
Catalog Number:
AG00J0N5
Chemical Name:
3-[5-(pyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine hydrochloride
CAS Number:
1638612-44-8
Molecular Formula:
C11H13ClN4O
Molecular Weight:
252.7001
MDL Number:
MFCD28155259
IUPAC Name:
3-pyridin-3-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C11H12N4O.ClH/c1-2-8(6-12-4-1)10-14-11(16-15-10)9-3-5-13-7-9;/h1-2,4,6,9,13H,3,5,7H2;1H
InChI Key:
DSZDBEVUKZBJIZ-UHFFFAOYSA-N
SMILES:
C1NCC(C1)c1onc(n1)c1cccnc1.Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.702g/mol
Monoisotopic Mass:
252.078g/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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