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89046-51-5 | 1,3,4-Oxadiazol-2(3H)-one, 5-(6-ethoxy-4-quinolinyl)-3-(hydroxymethyl)-
CAS No: 89046-51-5 Catalog No: AG00421C MDL No:
Product Description
Catalog Number:
AG00421C
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(6-ethoxy-4-quinolinyl)-3-(hydroxymethyl)-
CAS Number:
89046-51-5
Molecular Formula:
C14H13N3O4
Molecular Weight:
287.2707
IUPAC Name:
5-(6-ethoxyquinolin-4-yl)-3-(hydroxymethyl)-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C14H13N3O4/c1-2-20-9-3-4-12-11(7-9)10(5-6-15-12)13-16-17(8-18)14(19)21-13/h3-7,18H,2,8H2,1H3
InChI Key:
AWNCEZVHWBVIIF-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(ccn2)c1nn(c(=O)o1)CO
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.275g/mol
Monoisotopic Mass:
287.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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