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76390-75-5 | Isoxazolo[4,5-b]pyridine-3-carboxamide, 5-amino-6-cyano-7-phenyl-
CAS No: 76390-75-5 Catalog No: AG005CC0 MDL No:
Product Description
Catalog Number:
AG005CC0
Chemical Name:
Isoxazolo[4,5-b]pyridine-3-carboxamide, 5-amino-6-cyano-7-phenyl-
CAS Number:
76390-75-5
Molecular Formula:
C14H9N5O2
Molecular Weight:
279.2536
IUPAC Name:
5-amino-6-cyano-7-phenyl-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
InChI:
InChI=1S/C14H9N5O2/c15-6-8-9(7-4-2-1-3-5-7)12-10(18-13(8)16)11(14(17)20)19-21-12/h1-5H,(H2,16,18)(H2,17,20)
InChI Key:
YAJJQTZWVLGIEN-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)nc2c(c1c1ccccc1)onc2C(=O)N
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.076g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.259g/mol
Monoisotopic Mass:
279.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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