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130402-98-1 | 3-Isoxazolecarboxamide, 5-(1,1-dimethylethyl)-N-(2,6-dimethylphenyl)-
CAS No: 130402-98-1 Catalog No: AG000UDO MDL No:
Product Description
Catalog Number:
AG000UDO
Chemical Name:
3-Isoxazolecarboxamide, 5-(1,1-dimethylethyl)-N-(2,6-dimethylphenyl)-
CAS Number:
130402-98-1
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
5-tert-butyl-N-(2,6-dimethylphenyl)-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C16H20N2O2/c1-10-7-6-8-11(2)14(10)17-15(19)12-9-13(20-18-12)16(3,4)5/h6-9H,1-5H3,(H,17,19)
InChI Key:
JXEAWCUISCPFSO-UHFFFAOYSA-N
SMILES:
O=C(c1noc(c1)C(C)(C)C)Nc1c(C)cccc1C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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