Catalog No.:AA00AJDO

13610-48-5 | 2-(2-Oxobenzo[d]oxazol-3(2H)-yl)acetonitrile

Name: Name:2-(2-Oxobenzo[d]oxazol-3(2H)-yl)acetonitrile
Brand: AABLOCKS
SKU: AA00AJDO
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00AJDO

Chemical Name:

2-(2-Oxobenzo[d]oxazol-3(2H)-yl)acetonitrile

CAS Number:

13610-48-5

Molecular Formula:

C9H6N2O2

Molecular Weight:

174.1561

MDL Number:

MFCD00268741

SMILES:

N#CCn1c(=O)oc2c1cccc2

Properties

Computed Properties

Complexity:

268

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

1.1

Downstream Synthesis Route

59-49-4

590-17-0

13610-48-5

[1]Zinner,H.etal.[JournalfurpraktischeChemie(Leipzig1954),1966,vol.33,p.130-138]

13610-48-5

13610-49-6

[1]Zinner,H.etal.[JournalfurpraktischeChemie(Leipzig1954),1966,vol.33,p.130-138]

59-49-4

75-05-8

13610-48-5

[1]D'Amico,JohnJ.;Bollinger,FredericG.[JournalofHeterocyclicChemistry,1988,vol.25,p.1487-1496]

67-56-1

13610-48-5

74943-74-1

[1]D'Amico,JohnJ.;Bollinger,FredericG.[JournalofHeterocyclicChemistry,1988,vol.25,p.1487-1496]

75-15-0

13610-48-5

3,3-Bis(methylthio)-2-(2-oxo-benzoxazolin-3-yl)-acrylnitril

[1]Doelling,W.;Kischkies,K.;Heinemann,F.;Hartung,H.[MonatsheftefurChemie,1993,vol.124,#6/7,p.707-720]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS