N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide

C109H104Cl5F3N20O17S — CID 160801844

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 160801844) has the molecular formula C109H104Cl5F3N20O17S and a molecular weight of 2232.48 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide
• PubChem CID: 160801844
• Molecular Formula: C109H104Cl5F3N20O17S
• Molecular Weight: 2232.48 g/mol
• Exact Mass: 2228.60
• IUPAC Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide
• SMILES: COc1ncc(C)cc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.CSc1ccccc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccccc4-n4cncn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ncccc5n4)(C2)C3)ccc1Cl.Cc1nn(C)cc1-c1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)no1
• InChI: InChI=1S/C23H22ClN5O3.C22H21ClFN5O4.C22H20ClN5O3.C21H21ClFN3O4.C21H20ClFN2O3S/c1-15-8-16(6-7-18(15)24)32-9-20(30)27-22-10-23(11-22,12-22)28-21(31)17-4-2-3-5-19(17)29-14-25-13-26-29;1-12-14(7-29(2)27-12)18-6-17(28-33-18)20(31)26-22-9-21(10-22,11-22)25-19(30)8-32-13-3-4-15(23)16(24)5-13;1-13-7-14(4-5-15(13)23)31-9-18(29)27-21-10-22(11-21,12-21)28-20(30)17-8-25-19-16(26-17)3-2-6-24-19;1-12-5-14(19(29-2)24-7-12)18(28)26-21-9-20(10-21,11-21)25-17(27)8-30-13-3-4-15(22)16(23)6-13;1-29-17-5-3-2-4-14(17)19(27)25-21-10-20(11-21,12-21)24-18(26)9-28-13-6-7-15(22)16(23)8-13/h2-8,13-14H,9-12H2,1H3,(H,27,30)(H,28,31);3-7H,8-11H2,1-2H3,(H,25,30)(H,26,31);2-8H,9-12H2,1H3,(H,27,29)(H,28,30);3-7H,8-11H2,1-2H3,(H,25,27)(H,26,28);2-8H,9-12H2,1H3,(H,24,26)(H,25,27)
• InChIKey: SDEGHOQHLYFEQB-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 472.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.48
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide?

The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 160801844) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide.

What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide?

The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide is COc1ncc(C)cc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.CSc1ccccc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccccc4-n4cncn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ncccc5n4)(C2)C3)ccc1Cl.Cc1nn(C)cc1-c1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)no1.

What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide?

The InChIKey is SDEGHOQHLYFEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3.C22H21ClFN5O4.C22H20ClN5O3.C21H21ClFN3O4.C21H20ClFN2O3S/c1-15-8-16(6-7-18(15)24)32-9-20(30)27-22-10-23(11-22,12-22)28-21(31)17-4-2-3-5-19(17)29-14-25-13-26-29;1-12-14(7-29(2)27-12)18-6-17(28-33-18)20(31)26-22-9-21(10-22,11-22)25-19(30)8-32-13-3-4-15(23)16(24)5-13;1-13-7-14(4-5-15(13)23)31-9-18(29)27-21-10-22(11-21,12-21)28-20(30)17-8-25-19-16(26-17)3-2-6-24-19;1-12-5-14(19(29-2)24-7-12)18(28)26-21-9-20(10-21,11-21)25-17(27)8-30-13-3-4-15(22)16(23)6-13;1-29-17-5-3-2-4-14(17)19(27)25-21-10-20(11-21,12-21)24-18(26)9-28-13-6-7-15(22)16(23)8-13/h2-8,13-14H,9-12H2,1H3,(H,27,30)(H,28,31);3-7H,8-11H2,1-2H3,(H,25,30)(H,26,31);2-8H,9-12H2,1H3,(H,27,29)(H,28,30);3-7H,8-11H2,1-2H3,(H,25,27)(H,26,28);2-8H,9-12H2,1H3,(H,24,26)(H,25,27).

What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide?

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 2232.48 g/mol, XLogP of 14.78, 34 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methoxy-5-methylpyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylsulfanylbenzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 160801844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).