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16707-41-8 | 1H-Pyrrole-2,5-dione, 1-[4-(2-benzoxazolyl)phenyl]-
CAS No: 16707-41-8 Catalog No: AG001X3A MDL No:MFCD00047253
Product Description
Catalog Number:
AG001X3A
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[4-(2-benzoxazolyl)phenyl]-
CAS Number:
16707-41-8
Molecular Formula:
C17H10N2O3
Molecular Weight:
290.2729
MDL Number:
MFCD00047253
IUPAC Name:
1-[4-(1,3-benzoxazol-2-yl)phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C17H10N2O3/c20-15-9-10-16(21)19(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)22-17/h1-10H
InChI Key:
BGGCPIFVRJFAKF-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)c1nc2c(o1)cccc2
UNII:
KF3P4V0PO3
NSC Number:
340300
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.278g/mol
Monoisotopic Mass:
290.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
| Spectrofluorimetric determination of thiols by use of N[P-(2-benzoxazolyl)phenyl]maleimide. | Fresenius' journal of analytical chemistry 20010801 |
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