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114065-33-7 | 1,2,4-Oxadiazole, 3-(4-methylphenyl)-5-(phenylmethyl)-
CAS No: 114065-33-7 Catalog No: AG000AG7 MDL No:
Product Description
Catalog Number:
AG000AG7
Chemical Name:
1,2,4-Oxadiazole, 3-(4-methylphenyl)-5-(phenylmethyl)-
CAS Number:
114065-33-7
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
5-benzyl-3-(4-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C16H14N2O/c1-12-7-9-14(10-8-12)16-17-15(19-18-16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
JODCKKFDYVPPJE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)Cc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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