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106833-52-7 | 4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-
CAS No: 106833-52-7 Catalog No: AG008304 MDL No:
Product Description
Catalog Number:
AG008304
Chemical Name:
4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-
CAS Number:
106833-52-7
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
IUPAC Name:
5-ethyl-3-methyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C13H22N2O2/c1-7-11-12(10(6)14-17-11)13(16)15(8(2)3)9(4)5/h8-9H,7H2,1-6H3
InChI Key:
CAGCTVOXTAQKLK-UHFFFAOYSA-N
SMILES:
CCc1onc(c1C(=O)N(C(C)C)C(C)C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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