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82560-22-3 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-3,5-dimethyl-
CAS No: 82560-22-3 Catalog No: AG004YP8 MDL No:
Product Description
Catalog Number:
AG004YP8
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-3,5-dimethyl-
CAS Number:
82560-22-3
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-3,5-dimethylbenzamide
InChI:
InChI=1S/C16H20N2O2/c1-10-6-11(2)8-12(7-10)15(19)17-14-9-13(18-20-14)16(3,4)5/h6-9H,1-5H3,(H,17,19)
InChI Key:
PKVFKAQJQVEIJK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)C(=O)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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