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Home > Pyridines > 2060052-00-6
2060052-00-6 | 3-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine
CAS No: 2060052-00-6 Catalog No: AG01BYEU MDL No:MFCD30486635
Product Description
Catalog Number:
AG01BYEU
Chemical Name:
3-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine
CAS Number:
2060052-00-6
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD30486635
IUPAC Name:
3-(oxan-4-yl)-5-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C13H15N3O2/c1-2-10(9-14-5-1)8-12-15-13(16-18-12)11-3-6-17-7-4-11/h1-2,5,9,11H,3-4,6-8H2
InChI Key:
FPEMXAFAJTYMMZ-UHFFFAOYSA-N
SMILES:
O1CCC(CC1)c1noc(n1)Cc1cccnc1
Properties
Complexity:
259
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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