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80024-58-4 | 2-Imidazolidinone,4-(acetyloxy)-3-[5-(1,1-dimethylethyl)-3-isoxazolyl]-1-methyl-
CAS No: 80024-58-4 Catalog No: AG005PUT MDL No:
Product Description
Catalog Number:
AG005PUT
Chemical Name:
2-Imidazolidinone,4-(acetyloxy)-3-[5-(1,1-dimethylethyl)-3-isoxazolyl]-1-methyl-
CAS Number:
80024-58-4
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
IUPAC Name:
[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] acetate
InChI:
InChI=1S/C13H19N3O4/c1-8(17)19-11-7-15(5)12(18)16(11)10-6-9(20-14-10)13(2,3)4/h6,11H,7H2,1-5H3
InChI Key:
QXOWNFHVPIWXKF-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CN(C(=O)N1c1noc(c1)C(C)(C)C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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