2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide

C92H105Cl3F4N14O15S — CID 160961400

IUPAC2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1CC2(NC(=O)c3ccno3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cnn(C)c3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3coc(C(C)(C)C)n3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cc5nccnc5s4)(CC2)CC3O)cc1F
InChIInChI=1S/C25H31ClFN3O4.C24H25FN4O4S.C22H26ClFN4O3.C21H23ClFN3O4/c1-15-12-24(30-21(32)19-13-34-22(28-19)23(2,3)4)7-9-25(15,10-8-24)29-20(31)14-33-16-5-6-17(26)18(27)11-16;1-14-2-3-15(10-16(14)25)33-13-20(31)28-24-6-4-23(5-7-24,12-19(24)30)29-21(32)18-11-17-22(34-18)27-9-8-26-17;1-14-10-21(27-20(30)15-11-25-28(2)12-15)5-7-22(14,8-6-21)26-19(29)13-31-16-3-4-17(23)18(24)9-16;1-13-11-20(26-19(28)17-4-9-24-30-17)5-7-21(13,8-6-20)25-18(27)12-29-14-2-3-15(22)16(23)10-14/h5-6,11,13,15H,7-10,12,14H2,1-4H3,(H,29,31)(H,30,32);2-3,8-11,19,30H,4-7,12-13H2,1H3,(H,28,31)(H,29,32);3-4,9,11-12,14H,5-8,10,13H2,1-2H3,(H,26,29)(H,27,30);2-4,9-10,13H,5-8,11-12H2,1H3,(H,25,27)(H,26,28)
InChIKeySXBCTNBUUTXMOM-UHFFFAOYSA-N
MW1861.35 g/mol
LogP14.37
Rot. Bonds24

About 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide

2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 160961400) has the molecular formula C92H105Cl3F4N14O15S and a molecular weight of 1861.35 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID160961400
Molecular FormulaC92H105Cl3F4N14O15S
Molecular Weight1861.35 g/mol
Exact Mass1858.66
IUPAC Name2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1CC2(NC(=O)c3ccno3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cnn(C)c3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3coc(C(C)(C)C)n3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cc5nccnc5s4)(CC2)CC3O)cc1F
InChIInChI=1S/C25H31ClFN3O4.C24H25FN4O4S.C22H26ClFN4O3.C21H23ClFN3O4/c1-15-12-24(30-21(32)19-13-34-22(28-19)23(2,3)4)7-9-25(15,10-8-24)29-20(31)14-33-16-5-6-17(26)18(27)11-16;1-14-2-3-15(10-16(14)25)33-13-20(31)28-24-6-4-23(5-7-24,12-19(24)30)29-21(32)18-11-17-22(34-18)27-9-8-26-17;1-14-10-21(27-20(30)15-11-25-28(2)12-15)5-7-22(14,8-6-21)26-19(29)13-31-16-3-4-17(23)18(24)9-16;1-13-11-20(26-19(28)17-4-9-24-30-17)5-7-21(13,8-6-20)25-18(27)12-29-14-2-3-15(22)16(23)10-14/h5-6,11,13,15H,7-10,12,14H2,1-4H3,(H,29,31)(H,30,32);2-3,8-11,19,30H,4-7,12-13H2,1H3,(H,28,31)(H,29,32);3-4,9,11-12,14H,5-8,10,13H2,1-2H3,(H,26,29)(H,27,30);2-4,9-10,13H,5-8,11-12H2,1H3,(H,25,27)(H,26,28)
InChIKeySXBCTNBUUTXMOM-UHFFFAOYSA-N
XLogP14.37
TPSA385.61 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.35
LogP ≤ 514.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 160961400) is 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide is CC1CC2(NC(=O)c3ccno3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cnn(C)c3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3coc(C(C)(C)C)n3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cc5nccnc5s4)(CC2)CC3O)cc1F.
What is the InChIKey of 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is SXBCTNBUUTXMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN3O4.C24H25FN4O4S.C22H26ClFN4O3.C21H23ClFN3O4/c1-15-12-24(30-21(32)19-13-34-22(28-19)23(2,3)4)7-9-25(15,10-8-24)29-20(31)14-33-16-5-6-17(26)18(27)11-16;1-14-2-3-15(10-16(14)25)33-13-20(31)28-24-6-4-23(5-7-24,12-19(24)30)29-21(32)18-11-17-22(34-18)27-9-8-26-17;1-14-10-21(27-20(30)15-11-25-28(2)12-15)5-7-22(14,8-6-21)26-19(29)13-31-16-3-4-17(23)18(24)9-16;1-13-11-20(26-19(28)17-4-9-24-30-17)5-7-21(13,8-6-20)25-18(27)12-29-14-2-3-15(22)16(23)10-14/h5-6,11,13,15H,7-10,12,14H2,1-4H3,(H,29,31)(H,30,32);2-3,8-11,19,30H,4-7,12-13H2,1H3,(H,28,31)(H,29,32);3-4,9,11-12,14H,5-8,10,13H2,1-2H3,(H,26,29)(H,27,30);2-4,9-10,13H,5-8,11-12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide?
2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1861.35 g/mol, XLogP of 14.37, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 160961400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).