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82559-04-4 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,6-diethyl-
CAS No: 82559-04-4 Catalog No: AG004YQS MDL No:
Product Description
Catalog Number:
AG004YQS
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,6-diethyl-
CAS Number:
82559-04-4
Molecular Formula:
C18H24N2O2
Molecular Weight:
300.3954
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-2,6-diethylbenzamide
InChI:
InChI=1S/C18H24N2O2/c1-6-12-9-8-10-13(7-2)16(12)17(21)19-15-11-14(20-22-15)18(3,4)5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChI Key:
BHUXPHFHXIFOSB-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1C(=O)Nc1onc(c1)C(C)(C)C)CC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.402g/mol
Monoisotopic Mass:
300.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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