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Home > Pyridines > 1820574-85-3
1820574-85-3 | 3-{5-[-octahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl}pyridine
CAS No: 1820574-85-3 Catalog No: AG01BE0V MDL No:MFCD28656654
Product Description
Catalog Number:
AG01BE0V
Chemical Name:
3-{5-[-octahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl}pyridine
CAS Number:
1820574-85-3
Molecular Formula:
C14H16N4O
Molecular Weight:
256.3030
MDL Number:
MFCD28656654
IUPAC Name:
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C14H16N4O/c1-4-11-8-16-9-14(11,5-1)13-17-12(18-19-13)10-3-2-6-15-7-10/h2-3,6-7,11,16H,1,4-5,8-9H2/t11-,14-/m1/s1
InChI Key:
HWURVGXFVUYJTH-BXUZGUMPSA-N
SMILES:
c1ccc(cn1)c1noc(n1)[C@]12CCC[C@@H]2CNC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
256.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.309g/mol
Monoisotopic Mass:
256.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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