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Home > Other Heterocycles > 2059965-45-4
2059965-45-4 | 2-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}bicyclo[2.2.1]heptan-2-ol
CAS No: 2059965-45-4 Catalog No: AG01C0V1 MDL No:MFCD30498300
Product Description
Catalog Number:
AG01C0V1
Chemical Name:
2-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}bicyclo[2.2.1]heptan-2-ol
CAS Number:
2059965-45-4
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
MDL Number:
MFCD30498300
IUPAC Name:
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]bicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C13H20N2O2/c1-8(2)12-14-11(17-15-12)7-13(16)6-9-3-4-10(13)5-9/h8-10,16H,3-7H2,1-2H3
InChI Key:
SDENZBHLNXGSAA-UHFFFAOYSA-N
SMILES:
CC(c1noc(n1)CC1(O)CC2CC1CC2)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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