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98524-87-9 | 5-[7-[4-[(4R)-4,5-DIHYDRO-4-METHYL-2-OXAZOLYL]PHENOXY]HEPTYL]-3-METHYL-ISOXAZOLE
CAS No: 98524-87-9 Catalog No: AG0067YF MDL No:
Product Description
Catalog Number:
AG0067YF
Chemical Name:
5-[7-[4-[(4R)-4,5-DIHYDRO-4-METHYL-2-OXAZOLYL]PHENOXY]HEPTYL]-3-METHYL-ISOXAZOLE
CAS Number:
98524-87-9
Molecular Formula:
C21H28N2O3
Molecular Weight:
356.4586
IUPAC Name:
3-methyl-5-[7-[4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
InChI:
InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1
InChI Key:
NEAZMARKCJKUMF-QGZVFWFLSA-N
SMILES:
C[C@@H]1COC(=N1)c1ccc(cc1)OCCCCCCCc1onc(c1)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.21g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.466g/mol
Monoisotopic Mass:
356.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| A model for compounds active against human rhinovirus-14 based on X-ray crystallography data. | Journal of medicinal chemistry 19900501 |
| Enantiomeric effects of homologues of disoxaril on the inhibitory activity against human rhinovirus-14. | Journal of medicinal chemistry 19880301 |
| 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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