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130403-15-5 | 3-Isoxazolecarboxamide, N-(4-methoxy-2,6-dimethylphenyl)-5-methyl-
CAS No: 130403-15-5 Catalog No: AG000UDN MDL No:
Product Description
Catalog Number:
AG000UDN
Chemical Name:
3-Isoxazolecarboxamide, N-(4-methoxy-2,6-dimethylphenyl)-5-methyl-
CAS Number:
130403-15-5
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
N-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C14H16N2O3/c1-8-5-11(18-4)6-9(2)13(8)15-14(17)12-7-10(3)19-16-12/h5-7H,1-4H3,(H,15,17)
InChI Key:
OSXHOGXWOADLHX-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)NC(=O)c1noc(c1)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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