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127612-17-3 | 1,3,4-Oxadiazole, 2-(2-furanyl)-5-[4-(5-phenyl-2-oxazolyl)phenyl]-
CAS No: 127612-17-3 Catalog No: AG000X8D MDL No:
Product Description
Catalog Number:
AG000X8D
Chemical Name:
1,3,4-Oxadiazole, 2-(2-furanyl)-5-[4-(5-phenyl-2-oxazolyl)phenyl]-
CAS Number:
127612-17-3
Molecular Formula:
C21H13N3O3
Molecular Weight:
355.3462
IUPAC Name:
2-(furan-2-yl)-5-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C21H13N3O3/c1-2-5-14(6-3-1)18-13-22-19(26-18)15-8-10-16(11-9-15)20-23-24-21(27-20)17-7-4-12-25-17/h1-13H
InChI Key:
WJLCIDBXNFIRQP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnc(o1)c1ccc(cc1)c1nnc(o1)c1ccco1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.096g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.353g/mol
Monoisotopic Mass:
355.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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