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67014-82-8 | Naphth[1,2-d]oxazole, 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-
CAS No: 67014-82-8 Catalog No: AG005RGD MDL No:
Product Description
Catalog Number:
AG005RGD
Chemical Name:
Naphth[1,2-d]oxazole, 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-
CAS Number:
67014-82-8
Molecular Formula:
C20H13N3O2
Molecular Weight:
327.3361
IUPAC Name:
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzo[e][1,3]benzoxazole
InChI:
InChI=1S/C20H13N3O2/c1-12-21-20(25-23-12)15-8-6-14(7-9-15)19-22-18-16-5-3-2-4-13(16)10-11-17(18)24-19/h2-11H,1H3
InChI Key:
GNGBJFNLKWUDJY-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)c1ccc(cc1)c1oc2c(n1)c1ccccc1cc2
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.343g/mol
Monoisotopic Mass:
327.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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