CAS 4570-41-6 | 2-Aminobenzoxazole | CAS Number 4570-41-6

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4570-41-6 | 2-Aminobenzoxazole

CAS No: 4570-41-6 Catalog No: AG003343 MDL No:MFCD00182850

Product Description

Catalog Number:

AG003343

Chemical Name:

2-Aminobenzoxazole

CAS Number:

4570-41-6

Molecular Formula:

C7H6N2O

Molecular Weight:

134.1353

MDL Number:

MFCD00182850

IUPAC Name:

1,3-benzoxazol-2-amine

InChI:

InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

InChI Key:

JPBLHOJFMBOCAF-UHFFFAOYSA-N

SMILES:

Nc1nc2c(o1)cccc2

EC Number:

224-952-3

NSC Number:

26184

Properties

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

134.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

134.138g/mol

Monoisotopic Mass:

134.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Preparation, antibacterial evaluation and preliminary structure-activity relationship (SAR) study of benzothiazol- and benzoxazol-2-amine derivatives.	Bioorganic & medicinal chemistry letters 20120501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Solid-phase synthesis of the 2-aminobenzoxazole library using thioether linkage as the safety-catch linker.	Journal of combinatorial chemistry 20060101