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88584-17-2 | Oxazolo[5,4-d]pyrimidin-7(4H)-one, 5-(dimethylamino)-2-phenyl-
CAS No: 88584-17-2 Catalog No: AG004DI6 MDL No:
Product Description
Catalog Number:
AG004DI6
Chemical Name:
Oxazolo[5,4-d]pyrimidin-7(4H)-one, 5-(dimethylamino)-2-phenyl-
CAS Number:
88584-17-2
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
IUPAC Name:
5-(dimethylamino)-2-phenyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
InChI:
InChI=1S/C13H12N4O2/c1-17(2)13-15-10(18)9-12(16-13)19-11(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,16,18)
InChI Key:
UERFYJNJSZQWPM-UHFFFAOYSA-N
SMILES:
CN(c1nc(=O)c2c([nH]1)oc(n2)c1ccccc1)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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