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Home > Indoles and Oxindole > 730972-91-5
730972-91-5 | 1-butyl-3-hydroxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indol-2-one
CAS No: 730972-91-5 Catalog No: AG01BBUI MDL No:MFCD04623066
Product Description
Catalog Number:
AG01BBUI
Chemical Name:
1-butyl-3-hydroxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indol-2-one
CAS Number:
730972-91-5
Molecular Formula:
C20H19N3O3
Molecular Weight:
349.3832
MDL Number:
MFCD04623066
IUPAC Name:
1-butyl-3-hydroxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-2-one
InChI:
InChI=1S/C20H19N3O3/c1-2-3-13-23-16-12-8-7-11-15(16)20(25,19(23)24)18-22-21-17(26-18)14-9-5-4-6-10-14/h4-12,25H,2-3,13H2,1H3
InChI Key:
QLTUEJRUQGMMEX-UHFFFAOYSA-N
SMILES:
CCCCN1c2ccccc2C(C1=O)(O)c1nnc(o1)c1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.39g/mol
Monoisotopic Mass:
349.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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