959241-43-1 Purity
96%
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Specification
The molecular formula of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is C18H23N3O2.
The PubChem CID of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is 9225055.
The IUPAC name of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
The InChI of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is InChI=1S/C18H23N3O2/c1-4-15-17(14(3)23-19-15)18(22)21-11-9-20(10-12-21)16-8-6-5-7-13(16)2/h5-8H,4,9-12H2,1-3H3.
The InChIKey of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is FOQLAVZWABOYOB-UHFFFAOYSA-N.
The Canonical SMILES of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is CCC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC=CC=C3C).
The molecular weight of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is 313.4 g/mol.
The XLogP3-AA value of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- is 3.
Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- has 0 hydrogen bond donor counts.
Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-(2-methylphenyl)-1-piperazinyl]- has 3 rotatable bond counts.