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828295-24-5 | 3-Isoxazolecarboxamide,N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-5-methyl-
CAS No: 828295-24-5 Catalog No: AG0055OT MDL No:
Product Description
Catalog Number:
AG0055OT
Chemical Name:
3-Isoxazolecarboxamide,N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-5-methyl-
CAS Number:
828295-24-5
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
IUPAC Name:
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C10H16N2O3/c1-6(2)9(5-13)11-10(14)8-4-7(3)15-12-8/h4,6,9,13H,5H2,1-3H3,(H,11,14)/t9-/m1/s1
InChI Key:
VZDZLJPGERPMOT-SECBINFHSA-N
SMILES:
OC[C@H](C(C)C)NC(=O)c1noc(c1)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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