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82559-01-1 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,6-dimethyl-
CAS No: 82559-01-1 Catalog No: AG004U79 MDL No:
Product Description
Catalog Number:
AG004U79
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,6-dimethyl-
CAS Number:
82559-01-1
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-2,6-dimethylbenzamide
InChI:
InChI=1S/C16H20N2O2/c1-10-7-6-8-11(2)14(10)15(19)17-13-9-12(18-20-13)16(3,4)5/h6-9H,1-5H3,(H,17,19)
InChI Key:
PLNICJYZSCZHQS-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)cccc1C)Nc1onc(c1)C(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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