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743456-86-2

743456-86-2 | Isoxazole, 3-(2,5-dimethyl-1H-pyrrol-1-yl)- (9CI)

CAS No: 743456-86-2 Catalog No: AG00FTFD MDL No:

Product Description

Catalog Number:
AG00FTFD
Chemical Name:
Isoxazole, 3-(2,5-dimethyl-1H-pyrrol-1-yl)- (9CI)
CAS Number:
743456-86-2
IUPAC Name:
3-(2,5-dimethylpyrrol-1-yl)-1,2-oxazole
InChI:
InChI=1S/C9H10N2O/c1-7-3-4-8(2)11(7)9-5-6-12-10-9/h3-6H,1-2H3
InChI Key:
DPMDYFKFWQGNBS-UHFFFAOYSA-N

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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