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109143-48-8 | Oxazolo[5,4-d]pyrimidin-5(6H)-one, 7,7a-dihydro-2-methyl-7-phenyl-
CAS No: 109143-48-8 Catalog No: AG007TNM MDL No:
Product Description
Catalog Number:
AG007TNM
Chemical Name:
Oxazolo[5,4-d]pyrimidin-5(6H)-one, 7,7a-dihydro-2-methyl-7-phenyl-
CAS Number:
109143-48-8
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
2-methyl-7-phenyl-7,7a-dihydro-6H-[1,3]oxazolo[5,4-d]pyrimidin-5-one
InChI:
InChI=1S/C12H11N3O2/c1-7-13-10-9(8-5-3-2-4-6-8)14-12(16)15-11(10)17-7/h2-6,9-10H,1H3,(H,14,16)
InChI Key:
IDMOYVLKBQLJEB-UHFFFAOYSA-N
SMILES:
CC1=NC2C(=NC(=O)NC2c2ccccc2)O1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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