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78620-22-1 | 1,3,4-Oxadiazol-2(3H)-one, 3-acetyl-5-(2-benzoxazolyl)-
CAS No: 78620-22-1 Catalog No: AG005K2Z MDL No:
Product Description
Catalog Number:
AG005K2Z
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 3-acetyl-5-(2-benzoxazolyl)-
CAS Number:
78620-22-1
Molecular Formula:
C11H7N3O4
Molecular Weight:
245.1910
IUPAC Name:
3-acetyl-5-(1,3-benzoxazol-2-yl)-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C11H7N3O4/c1-6(15)14-11(16)18-10(13-14)9-12-7-4-2-3-5-8(7)17-9/h2-5H,1H3
InChI Key:
JGOQCWNWVJDTCC-UHFFFAOYSA-N
SMILES:
CC(=O)n1nc(oc1=O)c1nc2c(o1)cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.194g/mol
Monoisotopic Mass:
245.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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