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99979-64-3 | UREA, (3,5-DIMETHYL-4-ISOXAZOLYL)-
CAS No: 99979-64-3 Catalog No: AG003VI8 MDL No:MFCD01313311
Product Description
Catalog Number:
AG003VI8
Chemical Name:
UREA, (3,5-DIMETHYL-4-ISOXAZOLYL)-
CAS Number:
99979-64-3
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD01313311
IUPAC Name:
(3,5-dimethyl-1,2-oxazol-4-yl)urea
InChI:
InChI=1S/C6H9N3O2/c1-3-5(8-6(7)10)4(2)11-9-3/h1-2H3,(H3,7,8,10)
InChI Key:
CSLRISDYBRAABM-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1c(C)noc1C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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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