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20128-05-6 | Benzoxazole, 2-(4-methyl-1-piperazinyl)-
CAS No: 20128-05-6 Catalog No: AG002DBD MDL No:
Product Description
Catalog Number:
AG002DBD
Chemical Name:
Benzoxazole, 2-(4-methyl-1-piperazinyl)-
CAS Number:
20128-05-6
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
InChI:
InChI=1S/C12H15N3O/c1-14-6-8-15(9-7-14)12-13-10-4-2-3-5-11(10)16-12/h2-5H,6-9H2,1H3
InChI Key:
AQDIORAYAFJBDK-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc2c(o1)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Regulatory molecules for the 5-HT3 receptor ion channel gating system. | Bioorganic & medicinal chemistry 20070515 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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