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14441-90-8 | 5-Phenyl-isoxazole-3-carboxylic acid
CAS No: 14441-90-8 Catalog No: AG001JI4 MDL No:MFCD00464221
Product Description
Catalog Number:
AG001JI4
Chemical Name:
5-Phenyl-isoxazole-3-carboxylic acid
CAS Number:
14441-90-8
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD00464221
IUPAC Name:
5-phenyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:
XJYOBHXWBRKOQO-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)c1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| AutoClickChem: click chemistry in silico. | PLoS computational biology 20120301 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Synthesis of some 5-phenylisoxazole-3-carboxylic acid derivatives as potent xanthine oxidase inhibitors. | European journal of medicinal chemistry 20100601 |
| Rational design of 5-phenyl-3-isoxazolecarboxylic acid ethyl esters as growth inhibitors of Mycobacterium tuberculosis. a potent and selective series for further drug development. | Journal of medicinal chemistry 20100128 |
| 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 |
| Design of novel bioisosteres of beta-diketo acid inhibitors of HIV-1 integrase. | Antiviral chemistry & chemotherapy 20050101 |
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