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733796-14-0

733796-14-0 | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline

CAS No: 733796-14-0 Catalog No: AG00INLL MDL No:MFCD04124300

Product Description

Catalog Number:
AG00INLL
Chemical Name:
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CAS Number:
733796-14-0
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD04124300
IUPAC Name:
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
InChI:
InChI=1S/C12H14N2O/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3
InChI Key:
PLGGMHVUVNKJDQ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1CNc1ccccc1)C

Properties

Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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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