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87802-14-0 | 1,3,4-Oxadiazol-2(3H)-one, 5-(2-benzoxazolyl)-3-methyl-
CAS No: 87802-14-0 Catalog No: AG004I4L MDL No:
Product Description
Catalog Number:
AG004I4L
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(2-benzoxazolyl)-3-methyl-
CAS Number:
87802-14-0
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
5-(1,3-benzoxazol-2-yl)-3-methyl-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C10H7N3O3/c1-13-10(14)16-9(12-13)8-11-6-4-2-3-5-7(6)15-8/h2-5H,1H3
InChI Key:
AAYBWUURARSOSK-UHFFFAOYSA-N
SMILES:
Cn1nc(oc1=O)c1nc2c(o1)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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