Name: Name:1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)-
Brand: AABLOCKS
SKU: AA0006WP
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Catalog No.:AA0006WP

102227-52-1 | 1,2,4-Oxadiazol-5(2H)-one, 3-(4-pyridinyl)-

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA0006WP

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

Computed 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

Synonyms

102227-52-1

3-(pyridin-4-yl)-4,5-dihydro-1,2,4-oxadiazol-5-one

CTK4A0830

DTXSID10144803

ZINC6585031

AKOS010212114

MCULE-2275916121

NE19592

3-(4-pyridyl)-4H-1,2,4-oxadiazol-5-one

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

EN300-61715

Z1245633362

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

AIDS009256

CID456852

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

3-(pyridin-4-yl)-4H-[1,2,4]oxadiazol-5-one

AC1L9VMB

CHEMBL39060

ACMC-20m589

AC1Q6G39

SCHEMBL11038681

Literature

Title: Antimycobacterial activity of substituted isosteres of pyridine- and pyrazinecarboxylic acids. 2.

Journal: Journal of medicinal chemistry 20010510

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