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919117-18-3 | 1,2,4-Oxadiazole, 5-[3-(4-methylphenyl)-5-isoxazolyl]-3-phenyl-
CAS No: 919117-18-3 Catalog No: AG0068D3 MDL No:
Product Description
Catalog Number:
AG0068D3
Chemical Name:
1,2,4-Oxadiazole, 5-[3-(4-methylphenyl)-5-isoxazolyl]-3-phenyl-
CAS Number:
919117-18-3
Molecular Formula:
C18H13N3O2
Molecular Weight:
303.3147
IUPAC Name:
5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C18H13N3O2/c1-12-7-9-13(10-8-12)15-11-16(22-20-15)18-19-17(21-23-18)14-5-3-2-4-6-14/h2-11H,1H3
InChI Key:
FKMFVMJMYVZXAO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(c1)c1onc(n1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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