CAS 838-34-6 | Benzoxazole, 2-(4-methoxyphenyl)- | CAS Number 838-34-6

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838-34-6 | Benzoxazole, 2-(4-methoxyphenyl)-

CAS No: 838-34-6 Catalog No: AG004S68 MDL No:

Product Description

Catalog Number:

AG004S68

Chemical Name:

Benzoxazole, 2-(4-methoxyphenyl)-

CAS Number:

838-34-6

Molecular Formula:

C14H11NO2

Molecular Weight:

225.2426

IUPAC Name:

2-(4-methoxyphenyl)-1,3-benzoxazole

InChI:

InChI=1S/C14H11NO2/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3

InChI Key:

RAPOAMGKAJWGHU-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nc2c(o1)cccc2

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.247g/mol

Monoisotopic Mass:

225.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Synthesis and HIV-1 reverse transcriptase inhibitor activity of some 2,5,6-substituted benzoxazole, benzimidazole, benzothiazole and oxazolo(4,5-b)pyridine derivatives.	Arzneimittel-Forschung 20030101
Synthesis and microbiological activity of some N-(o-hydroxyphenyl)benzamides and phenylacetamides as the possible metabolites of antimicrobial active benzoxazoles: part II.	Farmaco (Societa chimica italiana : 1989) 20000101