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Home Halogens N-(4-chloro-2,5-dimethoxyphenyl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

CAS No.:
912880-52-5
Catalog Number:
AG01AN15
Molecular Formula:
C15H17ClN2O4
Molecular Weight:
324.7595
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Product Description
Catalog Number:
AG01AN15
Chemical Name:
N-(4-chloro-2,5-dimethoxyphenyl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
CAS Number:
912880-52-5
Molecular Formula:
C15H17ClN2O4
Molecular Weight:
324.7595
MDL Number:
MFCD14733239
IUPAC Name:
N-(4-chloro-2,5-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C15H17ClN2O4/c1-8(2)12-7-11(18-22-12)15(19)17-10-6-13(20-3)9(16)5-14(10)21-4/h5-8H,1-4H3,(H,17,19)
InChI Key:
NQKWRELILZFNQJ-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1NC(=O)c1noc(c1)C(C)C)OC
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.088g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.761g/mol
Monoisotopic Mass:
324.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
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
Properties