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188913-07-7 | 5-Isoxazolecarboxamide, 3-(1,1-dimethylethyl)-N-[1-(2-thienyl)ethyl]-
CAS No: 188913-07-7 Catalog No: AG002HJ8 MDL No:
Product Description
Catalog Number:
AG002HJ8
Chemical Name:
5-Isoxazolecarboxamide, 3-(1,1-dimethylethyl)-N-[1-(2-thienyl)ethyl]-
CAS Number:
188913-07-7
Molecular Formula:
C14H18N2O2S
Molecular Weight:
278.3699
IUPAC Name:
3-tert-butyl-N-(1-thiophen-2-ylethyl)-1,2-oxazole-5-carboxamide
InChI:
InChI=1S/C14H18N2O2S/c1-9(11-6-5-7-19-11)15-13(17)10-8-12(16-18-10)14(2,3)4/h5-9H,1-4H3,(H,15,17)
InChI Key:
JTOILRFJVLRGBN-UHFFFAOYSA-N
SMILES:
O=C(c1onc(c1)C(C)(C)C)NC(c1cccs1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.37g/mol
Monoisotopic Mass:
278.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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