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Home > Imidazoles > 2059955-14-3
2059955-14-3 | 2-(1-methyl-1H-imidazol-4-yl)-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
CAS No: 2059955-14-3 Catalog No: AG01BURK MDL No:MFCD30497543
Product Description
Catalog Number:
AG01BURK
Chemical Name:
2-(1-methyl-1H-imidazol-4-yl)-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
CAS Number:
2059955-14-3
Molecular Formula:
C10H13N5O
Molecular Weight:
219.2431
MDL Number:
MFCD30497543
IUPAC Name:
2-(3-methylazetidin-3-yl)-5-(1-methylimidazol-4-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C10H13N5O/c1-10(4-11-5-10)9-14-13-8(16-9)7-3-15(2)6-12-7/h3,6,11H,4-5H2,1-2H3
InChI Key:
FBMVIWLUOASKQX-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)c1nnc(o1)C1(C)CNC1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.248g/mol
Monoisotopic Mass:
219.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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