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147807-20-3 | 1,3,4-Oxadiazole-3(2H)-propanenitrile, 2-oxo-5-[4-(phenylmethoxy)phenyl]-
CAS No: 147807-20-3 Catalog No: AG001F7X MDL No:
Product Description
Catalog Number:
AG001F7X
Chemical Name:
1,3,4-Oxadiazole-3(2H)-propanenitrile, 2-oxo-5-[4-(phenylmethoxy)phenyl]-
CAS Number:
147807-20-3
Molecular Formula:
C18H15N3O3
Molecular Weight:
321.3300
IUPAC Name:
3-[2-oxo-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile
InChI:
InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
InChI Key:
RBWUKXWSNXXLOG-UHFFFAOYSA-N
SMILES:
N#CCCn1nc(oc1=O)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.336g/mol
Monoisotopic Mass:
321.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Rational approaches towards reversible inhibition of type B monoamine oxidase. Design and evaluation of a novel 5H-Indeno[1,2-c]pyridazin-5-one derivative. | Bioorganic & medicinal chemistry letters 20030106 |
| Synthesis and characterization of radioiodinated MD-230254: a new ligand for potential imaging of monoamine oxidase B activity by single photon emission computed tomography. | Chemical & pharmaceutical bulletin 20020501 |
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