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130402-97-0 | 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(1-methylethyl)-
CAS No: 130402-97-0 Catalog No: AG000UDP MDL No:
Product Description
Catalog Number:
AG000UDP
Chemical Name:
3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(1-methylethyl)-
CAS Number:
130402-97-0
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
N-(2,6-dimethylphenyl)-5-propan-2-yl-2H-1,3-oxazole-3-carboxamide
InChI:
InChI=1S/C15H20N2O2/c1-10(2)13-8-17(9-19-13)15(18)16-14-11(3)6-5-7-12(14)4/h5-8,10H,9H2,1-4H3,(H,16,18)
InChI Key:
CWNKVDYGHHZZPU-UHFFFAOYSA-N
SMILES:
O=C(c1noc(c1)C(C)C)Nc1c(C)cccc1C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.337g/mol
Monoisotopic Mass:
260.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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