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92595-46-5

92595-46-5 | 1,2,4-Oxadiazole, 2,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-

CAS No: 92595-46-5 Catalog No: AG006G5L MDL No:

Product Description

Catalog Number:
AG006G5L
Chemical Name:
1,2,4-Oxadiazole, 2,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-
CAS Number:
92595-46-5
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
5-(4-methoxyphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
InChI:
InChI=1S/C15H14N2O2/c1-18-13-9-7-12(8-10-13)15-16-14(17-19-15)11-5-3-2-4-6-11/h2-10,15H,1H3,(H,16,17)
InChI Key:
DVPUSYUYJZUYIK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1ONC(=N1)c1ccccc1

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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