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836623-00-8 | Butanamide, N-[3-methyl-5-(2-phenylethenyl)-4-isoxazolyl]-3-oxo-
CAS No: 836623-00-8 Catalog No: AG004Y22 MDL No:
Product Description
Catalog Number:
AG004Y22
Chemical Name:
Butanamide, N-[3-methyl-5-(2-phenylethenyl)-4-isoxazolyl]-3-oxo-
CAS Number:
836623-00-8
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
N-[3-methyl-5-(2-phenylethenyl)-1,2-oxazol-4-yl]-3-oxobutanamide
InChI:
InChI=1S/C16H16N2O3/c1-11(19)10-15(20)17-16-12(2)18-21-14(16)9-8-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,20)
InChI Key:
MMDCCTZIUBMDJL-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)noc1C=Cc1ccccc1)CC(=O)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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