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478033-16-8 | N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide
CAS No: 478033-16-8 Catalog No: AG00IPL2 MDL No:MFCD01815437
Product Description
Catalog Number:
AG00IPL2
Chemical Name:
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide
CAS Number:
478033-16-8
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD01815437
IUPAC Name:
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide
InChI:
InChI=1S/C13H11N3O3/c1-8-10(7-14)13(19-16-8)15-12(17)9-5-3-4-6-11(9)18-2/h3-6H,1-2H3,(H,15,17)
InChI Key:
KOWMKJWIYGWDOM-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)Nc1onc(c1C#N)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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