CAS 7509-65-1 | 3-(5-methylbenzooxazol-2-yl)aniline | CAS Number 7509-65-1

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7509-65-1 | 3-(5-methylbenzooxazol-2-yl)aniline

CAS No: 7509-65-1 Catalog No: AG008O3K MDL No:

Product Description

Catalog Number:

AG008O3K

Chemical Name:

3-(5-methylbenzooxazol-2-yl)aniline

CAS Number:

7509-65-1

Molecular Formula:

C14H12N2O

Molecular Weight:

224.2579

IUPAC Name:

3-(5-methyl-1,3-benzoxazol-2-yl)aniline

InChI:

InChI=1S/C14H12N2O/c1-9-5-6-13-12(7-9)16-14(17-13)10-3-2-4-11(15)8-10/h2-8H,15H2,1H3

InChI Key:

YGMVUJGLTNKWJJ-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)nc(o2)c1cccc(c1)N

NSC Number:

408151

Properties

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.263g/mol

Monoisotopic Mass:

224.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501