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918147-52-1 | Oxazolo[4,5-d]pyrimidin-7(6H)-one, 2,5-diphenyl-
CAS No: 918147-52-1 Catalog No: AG0069DY MDL No:
Product Description
Catalog Number:
AG0069DY
Chemical Name:
Oxazolo[4,5-d]pyrimidin-7(6H)-one, 2,5-diphenyl-
CAS Number:
918147-52-1
Molecular Formula:
C17H11N3O2
Molecular Weight:
289.2881
IUPAC Name:
2,5-diphenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C17H11N3O2/c21-16-13-15(18-14(19-16)11-7-3-1-4-8-11)20-17(22-13)12-9-5-2-6-10-12/h1-10H,(H,18,19,21)
InChI Key:
DEYOVHCEVMKHAL-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1oc(n2)c1ccccc1)c1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.294g/mol
Monoisotopic Mass:
289.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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