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105639-16-5 | Benzoic acid,5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]-
CAS No: 105639-16-5 Catalog No: AG007DZU MDL No:
Product Description
Catalog Number:
AG007DZU
Chemical Name:
Benzoic acid,5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]-
CAS Number:
105639-16-5
Molecular Formula:
C19H22N2O5
Molecular Weight:
358.3884
IUPAC Name:
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
InChI:
InChI=1S/C19H22N2O5/c1-13-11-15(26-21-13)5-3-2-4-9-24-17-7-6-14(12-16(17)19(22)23)18-20-8-10-25-18/h6-7,11-12H,2-5,8-10H2,1H3,(H,22,23)
InChI Key:
KWADUSKGDDXVGN-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCOc1ccc(cc1C(=O)O)C1=NCCO1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.394g/mol
Monoisotopic Mass:
358.153g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Structure-activity studies of 5-[[4-(4,5-dihydro-2-oxazolyl) phenoxy]alkyl]-3-methylisoxazoles: inhibitors of picornavirus uncoating. | Journal of medicinal chemistry 19870201 |
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