N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C90H84Cl6FN17O9 — CID 165019725

About N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165019725) has the molecular formula C90H84Cl6FN17O9 and a molecular weight of 1779.49 g/mol. Its IUPAC name is N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 165019725
• Molecular Formula: C90H84Cl6FN17O9
• Molecular Weight: 1779.49 g/mol
• Exact Mass: 1775.48
• IUPAC Name: N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: Cc1cc(OCC(=O)NC23CC(Nc4nc5cc(Cl)ccc5o4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nccc(-c5ccc(Cl)cc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nccc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cn1cc(-c2ccnc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)n2)cn1
• InChI: InChI=1S/C24H22Cl2N4O2.C24H23ClN4O2.C21H19Cl2N3O3.C21H20ClFN6O2/c1-15-10-18(6-7-19(15)26)32-11-21(31)29-23-12-24(13-23,14-23)30-22-27-9-8-20(28-22)16-2-4-17(25)5-3-16;1-16-11-18(7-8-19(16)25)31-12-21(30)28-23-13-24(14-23,15-23)29-22-26-10-9-20(27-22)17-5-3-2-4-6-17;1-12-6-14(3-4-15(12)23)28-8-18(27)25-20-9-21(10-20,11-20)26-19-24-16-7-13(22)2-5-17(16)29-19;1-29-8-13(7-25-29)17-4-5-24-19(26-17)28-21-10-20(11-21,12-21)27-18(30)9-31-14-2-3-15(22)16(23)6-14/h2-10H,11-14H2,1H3,(H,29,31)(H,27,28,30);2-11H,12-15H2,1H3,(H,28,30)(H,26,27,29);2-7H,8-11H2,1H3,(H,24,26)(H,25,27);2-8H,9-12H2,1H3,(H,27,30)(H,24,26,28)
• InChIKey: KZBZIIPVOBIKFA-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 322.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1779.49
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165019725) is N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4nc5cc(Cl)ccc5o4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nccc(-c5ccc(Cl)cc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nccc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cn1cc(-c2ccnc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)n2)cn1.

What is the InChIKey of N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is KZBZIIPVOBIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2.C24H23ClN4O2.C21H19Cl2N3O3.C21H20ClFN6O2/c1-15-10-18(6-7-19(15)26)32-11-21(31)29-23-12-24(13-23,14-23)30-22-27-9-8-20(28-22)16-2-4-17(25)5-3-16;1-16-11-18(7-8-19(16)25)31-12-21(30)28-23-13-24(14-23,15-23)29-22-26-10-9-20(27-22)17-5-3-2-4-6-17;1-12-6-14(3-4-15(12)23)28-8-18(27)25-20-9-21(10-20,11-20)26-19-24-16-7-13(22)2-5-17(16)29-19;1-29-8-13(7-25-29)17-4-5-24-19(26-17)28-21-10-20(11-21,12-21)27-18(30)9-31-14-2-3-15(22)16(23)6-14/h2-10H,11-14H2,1H3,(H,29,31)(H,27,28,30);2-11H,12-15H2,1H3,(H,28,30)(H,26,27,29);2-7H,8-11H2,1H3,(H,24,26)(H,25,27);2-8H,9-12H2,1H3,(H,27,30)(H,24,26,28).

What are the key properties of N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 1779.49 g/mol, XLogP of 17.11, 27 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165019725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).