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29065-91-6 | Isoxazole-3-carboxamide
CAS No: 29065-91-6 Catalog No: AG002X8G MDL No:MFCD13193133
Product Description
Catalog Number:
AG002X8G
Chemical Name:
Isoxazole-3-carboxamide
CAS Number:
29065-91-6
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD13193133
IUPAC Name:
1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C4H4N2O2/c5-4(7)3-1-2-8-6-3/h1-2H,(H2,5,7)
InChI Key:
LKYNGTHMKCTTQC-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccon1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Scaffold diversity of exemplified medicinal chemistry space. | Journal of chemical information and modeling 20110926 |
| Structure-activity studies of a novel series of isoxazole-3-carboxamide derivatives as TRPV1 antagonists. | Bioorganic & medicinal chemistry letters 20110201 |
| A new class of bradykinin B1 receptor antagonists with high oral bioavailability and minimal PXR activity. | Bioorganic & medicinal chemistry letters 20080115 |
| Synthesis and structure-activity relationships of isoxazole carboxamides as growth hormone secretagogue receptor antagonists. | Bioorganic & medicinal chemistry letters 20050215 |
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