Name: Name:1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)-
Brand: Angene
SKU: AG0006ZH
Rating: 90 (10 reviews)

1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)-

CAS No.:

102227-52-1

Catalog Number:

AG0006ZH

Molecular Formula:

C7H5N3O2

Molecular Weight:

163.1335

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Product Description

Catalog Number:

AG0006ZH

Chemical Name:

1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)-

CAS Number:

102227-52-1

Molecular Formula:

C7H5N3O2

Molecular Weight:

163.1335

MDL Number:

MFCD12774152

IUPAC Name:

3-pyridin-4-yl-4H-1,2,4-oxadiazol-5-one

InChI:

InChI=1S/C7H5N3O2/c11-7-9-6(10-12-7)5-1-3-8-4-2-5/h1-4H,(H,9,10,11)

InChI Key:

RDGQKNGDCGSGCR-UHFFFAOYSA-N

SMILES:

O=c1o[nH]c(n1)c1ccncc1

Properties

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.136g/mol

Monoisotopic Mass:

163.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Antimycobacterial activity of substituted isosteres of pyridine- and pyrazinecarboxylic acids. 2.	Journal of medicinal chemistry 20010510