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264616-56-0 | Acetamide, N-[4-(5-methyl-3-phenyl-4-isoxazolyl)-2-pyrimidinyl]-
CAS No: 264616-56-0 Catalog No: AG002TBD MDL No:MFCD00111358
Product Description
Catalog Number:
AG002TBD
Chemical Name:
Acetamide, N-[4-(5-methyl-3-phenyl-4-isoxazolyl)-2-pyrimidinyl]-
CAS Number:
264616-56-0
Molecular Formula:
C16H14N4O2
Molecular Weight:
294.3080
MDL Number:
MFCD00111358
IUPAC Name:
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
InChI:
InChI=1S/C16H14N4O2/c1-10-14(13-8-9-17-16(19-13)18-11(2)21)15(20-22-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19,21)
InChI Key:
ZXRPUDIWHVWKAR-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nccc(n1)c1c(C)onc1c1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.314g/mol
Monoisotopic Mass:
294.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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