200,000+ products from a single source!
sales@angenechem.com
871803-32-6 | 3-[(dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile
CAS No: 871803-32-6 Catalog No: AG01A2NB MDL No:MFCD07997028
Product Description
Catalog Number:
AG01A2NB
Chemical Name:
3-[(dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile
CAS Number:
871803-32-6
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD07997028
IUPAC Name:
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile
InChI:
InChI=1S/C13H12N2O2/c1-9-13(10(2)17-15-9)8-16-12-5-3-4-11(6-12)7-14/h3-6H,8H2,1-2H3
InChI Key:
YJRJXELEUXGHPN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OCc1c(C)noc1C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.