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127846-74-6 | 1,3,4-Oxadiazole, 2-(5-methyl-3-isoxazolyl)-5-phenyl-
CAS No: 127846-74-6 Catalog No: AG000XH5 MDL No:
Product Description
Catalog Number:
AG000XH5
Chemical Name:
1,3,4-Oxadiazole, 2-(5-methyl-3-isoxazolyl)-5-phenyl-
CAS Number:
127846-74-6
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
2-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C12H9N3O2/c1-8-7-10(15-17-8)12-14-13-11(16-12)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
WZZRVTTVIYRTRV-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)c1nnc(o1)c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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