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78620-26-5 | 1,3,4-Oxadiazol-2(3H)-one, 3-acetyl-5-(1-methyl-1H-benzimidazol-2-yl)-
CAS No: 78620-26-5 Catalog No: AG005K2Y MDL No:
Product Description
Catalog Number:
AG005K2Y
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 3-acetyl-5-(1-methyl-1H-benzimidazol-2-yl)-
CAS Number:
78620-26-5
Molecular Formula:
C12H10N4O3
Molecular Weight:
258.2328
IUPAC Name:
3-acetyl-5-(1-methylbenzimidazol-2-yl)-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C12H10N4O3/c1-7(17)16-12(18)19-11(14-16)10-13-8-5-3-4-6-9(8)15(10)2/h3-6H,1-2H3
InChI Key:
UHCVMQXYZAQXEN-UHFFFAOYSA-N
SMILES:
Cn1c(nc2c1cccc2)c1nn(c(=O)o1)C(=O)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.237g/mol
Monoisotopic Mass:
258.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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