About 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane
2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane (PubChem CID 158008204) has the molecular formula C150H150F18N20O23
and a molecular weight of 2942.93 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane.
Frequently Asked Questions
What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane (CID 158008204) is 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane is C.C.C.C.CC(=O)CC(O)(C(=O)N1CCN(c2ccc(CC(=O)c3oc(-c4ccccc4)nc3C(F)(F)F)cn2)CC1)C(F)(F)F.O=C(Cc1ccc(N2CCCN(C(=O)[C@H](O)C3CCCCC3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)C(O)c3ccc4c(c3)OCO4)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)C(O)c3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane?
The InChIKey is FEODFDQFNWXOKB-TUNFHFNNSA-N. The full InChI is InChI=1S/C30H25F3N4O6.C30H33F3N4O4.C30H27F3N4O4.C29H25F3N4O4.C27H24F6N4O5.4CH4/c31-30(32,33)27-26(43-28(35-27)19-4-2-1-3-5-19)21(38)14-18-6-9-24(34-16-18)36-10-12-37(13-11-36)29(40)25(39)20-7-8-22-23(15-20)42-17-41-22;2*31-30(32,33)27-26(41-28(35-27)22-10-5-2-6-11-22)23(38)18-20-12-13-24(34-19-20)36-14-7-15-37(17-16-36)29(40)25(39)21-8-3-1-4-9-21;30-29(31,32)26-25(40-27(34-26)21-9-5-2-6-10-21)22(37)17-19-11-12-23(33-18-19)35-13-15-36(16-14-35)28(39)24(38)20-7-3-1-4-8-20;1-16(38)14-25(41,27(31,32)33)24(40)37-11-9-36(10-12-37)20-8-7-17(15-34-20)13-19(39)21-22(26(28,29)30)35-23(42-21)18-5-3-2-4-6-18;;;;/h1-9,15-16,25,39H,10-14,17H2;2,5-6,10-13,19,21,25,39H,1,3-4,7-9,14-18H2;1-6,8-13,19,25,39H,7,14-18H2;1-12,18,24,38H,13-17H2;2-8,15,41H,9-14H2,1H3;4*1H4/t;2*25-;;;;;;/m.11....../s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane?
2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane has a molecular weight of 2942.93 g/mol, XLogP of 25.61, 36 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)pentane-1,4-dione;methane is sourced from PubChem (CID 158008204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).