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1198-99-8 | 1,2,4-Oxadiazol-5(2H)-one, 3-(3-pyridinyl)-
CAS No: 1198-99-8 Catalog No: AG000POH MDL No:MFCD12815751
Product Description
Catalog Number:
AG000POH
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 3-(3-pyridinyl)-
CAS Number:
1198-99-8
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD12815751
IUPAC Name:
3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C7H5N3O2/c11-7-9-6(10-12-7)5-2-1-3-8-4-5/h1-4H,(H,9,10,11)
InChI Key:
XSSFIDOWUWMEBD-UHFFFAOYSA-N
SMILES:
O=c1o[nH]c(n1)c1cccnc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of substituted isosteres of pyridine- and pyrazinecarboxylic acids. 2. | Journal of medicinal chemistry 20010510 |
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