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Home > Pyridines > 2060047-13-2
2060047-13-2 | 4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine
CAS No: 2060047-13-2 Catalog No: AG01BYEV MDL No:MFCD30486636
Product Description
Catalog Number:
AG01BYEV
Chemical Name:
4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine
CAS Number:
2060047-13-2
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD30486636
IUPAC Name:
3-(oxan-4-yl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C13H15N3O2/c1-5-14-6-2-10(1)9-12-15-13(16-18-12)11-3-7-17-8-4-11/h1-2,5-6,11H,3-4,7-9H2
InChI Key:
YLEWLTBOCIRSCD-UHFFFAOYSA-N
SMILES:
O1CCC(CC1)c1noc(n1)Cc1ccncc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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