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82558-98-3 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,4,6-trimethyl-
CAS No: 82558-98-3 Catalog No: AG004U7A MDL No:
Product Description
Catalog Number:
AG004U7A
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,4,6-trimethyl-
CAS Number:
82558-98-3
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzamide
InChI:
InChI=1S/C17H22N2O2/c1-10-7-11(2)15(12(3)8-10)16(20)18-14-9-13(19-21-14)17(4,5)6/h7-9H,1-6H3,(H,18,20)
InChI Key:
DYERDKXBUCCQQD-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=O)Nc1onc(c1)C(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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