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88584-16-1 | Oxazolo[5,4-d]pyrimidin-7(4H)-one, 2-phenyl-5-(2-pyridinyl)-
CAS No: 88584-16-1 Catalog No: AG008BEJ MDL No:
Product Description
Catalog Number:
AG008BEJ
Chemical Name:
Oxazolo[5,4-d]pyrimidin-7(4H)-one, 2-phenyl-5-(2-pyridinyl)-
CAS Number:
88584-16-1
Molecular Formula:
C16H10N4O2
Molecular Weight:
290.2762
IUPAC Name:
2-phenyl-5-pyridin-2-yl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
InChI:
InChI=1S/C16H10N4O2/c21-14-12-16(20-13(19-14)11-8-4-5-9-17-11)22-15(18-12)10-6-2-1-3-7-10/h1-9H,(H,19,20,21)
InChI Key:
UXVLQGAKTSIQKU-UHFFFAOYSA-N
SMILES:
O=c1nc([nH]c2c1nc(o2)c1ccccc1)c1ccccn1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.282g/mol
Monoisotopic Mass:
290.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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