General Information of the Compound
| Compound ID |
CP0053521
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| Compound Name |
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
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| Structure |
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| Formula |
C18H23N3O3S
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| Molecular Weight |
361.467
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| Canonical SMILES |
Cc1onc(c1C(=O)NCCCCCNC(=O)CS)-c1ccccc1
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| InChI |
InChI=1S/C18H23N3O3S/c1-13-16(17(21-24-13)14-8-4-2-5-9-14)18(23)20-11-7-3-6-10-19-15(22)12-25/h2,4-5,8-9,25H,3,6-7,10-12H2,1H3,(H,19,22)(H,20,23)
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| InChIKey |
WWLIISZAGFGMDE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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