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647862-54-2 | 3-Isoxazolecarboxamide, 5-benzoyl-4-(4-methyl-1-piperazinyl)-
CAS No: 647862-54-2 Catalog No: AG00H68Y MDL No:
Product Description
Catalog Number:
AG00H68Y
Chemical Name:
3-Isoxazolecarboxamide, 5-benzoyl-4-(4-methyl-1-piperazinyl)-
CAS Number:
647862-54-2
Molecular Formula:
C16H18N4O3
Molecular Weight:
314.3391
IUPAC Name:
5-benzoyl-4-(4-methylpiperazin-1-yl)-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C16H18N4O3/c1-19-7-9-20(10-8-19)13-12(16(17)22)18-23-15(13)14(21)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,17,22)
InChI Key:
FBHBOOKDKLWKHN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1c(noc1C(=O)c1ccccc1)C(=O)N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.345g/mol
Monoisotopic Mass:
314.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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