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111628-39-8 | 2-PIPERAZIN-1-YL-BENZOOXAZOLE
CAS No: 111628-39-8 Catalog No: AG008RVG MDL No:MFCD04035522
Product Description
Catalog Number:
AG008RVG
Chemical Name:
2-PIPERAZIN-1-YL-BENZOOXAZOLE
CAS Number:
111628-39-8
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD04035522
IUPAC Name:
2-piperazin-1-yl-1,3-benzoxazole
InChI:
InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:
HLKHIJZYKGDCJM-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nc2c(o1)cccc2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Semantic inference using chemogenomics data for drug discovery. | BMC bioinformatics 20110101 |
| 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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