N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C90H93Cl4F5N16O15 — CID 158727767

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 158727767) has the molecular formula C90H93Cl4F5N16O15 and a molecular weight of 1875.63 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 158727767
• Molecular Formula: C90H93Cl4F5N16O15
• Molecular Weight: 1875.63 g/mol
• Exact Mass: 1872.57
• IUPAC Name: N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: C=C1CC2(NC(=O)c3cc(C)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cc(-c4cnn(C)c4)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cc(C(F)F)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccn5nccc5n4)(C2)C3)ccc1Cl
• InChI: InChI=1S/C25H27ClFN5O4.C22H23ClF3N3O4.C22H23ClFN3O4.C21H20ClN5O3/c1-15-11-24(30-23(34)21-10-20(31-36-21)16-12-28-32(2)13-16)5-7-25(15,8-6-24)29-22(33)14-35-17-3-4-18(26)19(27)9-17;1-12-10-21(28-20(31)17-9-16(19(25)26)29-33-17)4-6-22(12,7-5-21)27-18(30)11-32-13-2-3-14(23)15(24)8-13;1-13-11-21(26-20(29)18-9-14(2)27-31-18)5-7-22(13,8-6-21)25-19(28)12-30-15-3-4-16(23)17(24)10-15;1-13-8-14(2-3-15(13)22)30-9-18(28)25-20-10-21(11-20,12-20)26-19(29)16-5-7-27-17(24-16)4-6-23-27/h3-4,9-10,12-13,15H,5-8,11,14H2,1-2H3,(H,29,33)(H,30,34);2-3,8-9,12,19H,4-7,10-11H2,1H3,(H,27,30)(H,28,31);3-4,9-10H,1,5-8,11-12H2,2H3,(H,25,28)(H,26,29);2-8H,9-12H2,1H3,(H,25,28)(H,26,29)
• InChIKey: IKSKRMIQRKYLAQ-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 395.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.63
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 158727767) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is C=C1CC2(NC(=O)c3cc(C)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cc(-c4cnn(C)c4)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cc(C(F)F)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccn5nccc5n4)(C2)C3)ccc1Cl.

What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is IKSKRMIQRKYLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN5O4.C22H23ClF3N3O4.C22H23ClFN3O4.C21H20ClN5O3/c1-15-11-24(30-23(34)21-10-20(31-36-21)16-12-28-32(2)13-16)5-7-25(15,8-6-24)29-22(33)14-35-17-3-4-18(26)19(27)9-17;1-12-10-21(28-20(31)17-9-16(19(25)26)29-33-17)4-6-22(12,7-5-21)27-18(30)11-32-13-2-3-14(23)15(24)8-13;1-13-11-21(26-20(29)18-9-14(2)27-31-18)5-7-22(13,8-6-21)25-19(28)12-30-15-3-4-16(23)17(24)10-15;1-13-8-14(2-3-15(13)22)30-9-18(28)25-20-10-21(11-20,12-20)26-19(29)16-5-7-27-17(24-16)4-6-23-27/h3-4,9-10,12-13,15H,5-8,11,14H2,1-2H3,(H,29,33)(H,30,34);2-3,8-9,12,19H,4-7,10-11H2,1H3,(H,27,30)(H,28,31);3-4,9-10H,1,5-8,11-12H2,2H3,(H,25,28)(H,26,29);2-8H,9-12H2,1H3,(H,25,28)(H,26,29).

What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 1875.63 g/mol, XLogP of 14.31, 26 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 158727767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).