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338408-93-8 | 3-(hydroxymethyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CAS No: 338408-93-8 Catalog No: AG00IXXU MDL No:MFCD00664755
Product Description
Catalog Number:
AG00IXXU
Chemical Name:
3-(hydroxymethyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CAS Number:
338408-93-8
Molecular Formula:
C9H9N3O3S
Molecular Weight:
239.2511
MDL Number:
MFCD00664755
IUPAC Name:
3-(hydroxymethyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C9H9N3O3S/c1-5-7(6(4-13)12-15-5)8(14)11-9-10-2-3-16-9/h2-3,13H,4H2,1H3,(H,10,11,14)
InChI Key:
DZQPIRPUROKLIN-UHFFFAOYSA-N
SMILES:
OCc1noc(c1C(=O)Nc1nccs1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.249g/mol
Monoisotopic Mass:
239.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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