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130402-91-4 | 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-methyl-
CAS No: 130402-91-4 Catalog No: AG000UDR MDL No:
Product Description
Catalog Number:
AG000UDR
Chemical Name:
3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-methyl-
CAS Number:
130402-91-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)17-15-11/h4-7H,1-3H3,(H,14,16)
InChI Key:
RLXJYVWTIYEJIQ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C(=O)Nc1c(C)cccc1C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Enaminones 12. An explanation of anticonvulsant activity and toxicity per Linus Pauling's clathrate hypothesis. | European journal of medicinal chemistry 20120501 |
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