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98034-30-1 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYLISOXAZOLE
CAS No: 98034-30-1 Catalog No: AG006AC0 MDL No:
Product Description
Catalog Number:
AG006AC0
Chemical Name:
5-(5-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYLISOXAZOLE
CAS Number:
98034-30-1
Molecular Formula:
C18H22N2O3
Molecular Weight:
314.3789
IUPAC Name:
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3
InChI Key:
IWZDYGHUSXWPPM-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCOc1ccc(cc1)C1=NCCO1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.385g/mol
Monoisotopic Mass:
314.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| An evaluation of the antirhinoviral activity of acetylfuran replacements for 3-methylisoxazoles. Are 2-acetylfurans bioisosteres for 3-methylisoxazoles? | Journal of medicinal chemistry 19941125 |
| CoMFA analysis of the interactions of antipicornavirus compounds in the binding pocket of human rhinovirus-14. | Journal of medicinal chemistry 19920320 |
| A model for compounds active against human rhinovirus-14 based on X-ray crystallography data. | Journal of medicinal chemistry 19900501 |
| Synthesis and structure-activity studies of some disubstituted phenylisoxazoles against human picornavirus. | Journal of medicinal chemistry 19890201 |
| Structure-activity studies of 5-[[4-(4,5-dihydro-2-oxazolyl) phenoxy]alkyl]-3-methylisoxazoles: inhibitors of picornavirus uncoating. | Journal of medicinal chemistry 19870201 |
| The site of attachment in human rhinovirus 14 for antiviral agents that inhibit uncoating. | Science (New York, N.Y.) 19860919 |
| [[(4,5-Dihydro-2-oxazolyl)phenoxy]alkyl]isoxazoles. Inhibitors of picornavirus uncoating. | Journal of medicinal chemistry 19851201 |
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