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70380-75-5 | 5-(Pyridin-4-yl);oxazole
CAS No: 70380-75-5 Catalog No: AG005JJN MDL No:MFCD00085162
Product Description
Catalog Number:
AG005JJN
Chemical Name:
5-(Pyridin-4-yl);oxazole
CAS Number:
70380-75-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD00085162
IUPAC Name:
5-pyridin-4-yl-1,3-oxazole
InChI:
InChI=1S/C8H6N2O/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H
InChI Key:
AFQAOCIKCVFASO-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1cnco1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. | Bioorganic & medicinal chemistry letters 20110101 |
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