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157837-31-5 | Benzenamine, 3-(5-oxazolyl)-
CAS No: 157837-31-5 Catalog No: AG001PR9 MDL No:MFCD00052191
Product Description
Catalog Number:
AG001PR9
Chemical Name:
Benzenamine, 3-(5-oxazolyl)-
CAS Number:
157837-31-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00052191
IUPAC Name:
3-(1,3-oxazol-5-yl)aniline
InChI:
InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2
InChI Key:
AIELNJDAOGTASK-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1cnco1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Discovery of selective 4-Amino-pyridopyrimidine inhibitors of MAP4K4 using fragment-based lead identification and optimization. | Journal of medicinal chemistry 20140424 |
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