1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C109H120Cl5F4N15O17 — CID 159120990

About 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 159120990) has the molecular formula C109H120Cl5F4N15O17 and a molecular weight of 2165.50 g/mol. Its IUPAC name is 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 159120990
• Molecular Formula: C109H120Cl5F4N15O17
• Molecular Weight: 2165.50 g/mol
• Exact Mass: 2161.74
• IUPAC Name: 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: CC1CC2(NC(=O)c3ccn(C)n3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CCn1nc(C)cc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@@H](C)C3)on1.Cc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@H](C)C3)on1.Cc1cc(OCC(=O)CC23CC(Nc4nc5ccccc5o4)(C2)C3)ccc1Cl
• InChI: InChI=1S/C22H26ClFN4O3.2C22H25ClFN3O4.C22H21ClN2O3.C21H23ClFN3O3/c1-14-12-21(26-20(30)18-5-10-28(2)27-18)6-8-22(14,9-7-21)25-19(29)13-31-15-3-4-16(23)17(24)11-15;2*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;1-14-8-16(6-7-17(14)23)27-10-15(26)9-21-11-22(12-21,13-21)25-20-24-18-4-2-3-5-19(18)28-20;1-3-26-17(6-13(2)25-26)18(27)8-20-10-21(11-20,12-20)24-19(28)9-29-14-4-5-15(22)16(23)7-14/h3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,25,29)(H,26,30);2*3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,25,28)(H,26,29);2-8H,9-13H2,1H3,(H,24,25);4-7H,3,8-12H2,1-2H3,(H,24,28)/t;2*13-,21?,22?;;/m.10../s1
• InChIKey: KFRPYBNINQSOEQ-VTIIISNTSA-N
• XLogP: 19.67
• TPSA: 409.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2165.50
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 159120990) is 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC1CC2(NC(=O)c3ccn(C)n3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CCn1nc(C)cc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@@H](C)C3)on1.Cc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@H](C)C3)on1.Cc1cc(OCC(=O)CC23CC(Nc4nc5ccccc5o4)(C2)C3)ccc1Cl.

What is the InChIKey of 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is KFRPYBNINQSOEQ-VTIIISNTSA-N. The full InChI is InChI=1S/C22H26ClFN4O3.2C22H25ClFN3O4.C22H21ClN2O3.C21H23ClFN3O3/c1-14-12-21(26-20(30)18-5-10-28(2)27-18)6-8-22(14,9-7-21)25-19(29)13-31-15-3-4-16(23)17(24)11-15;2*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;1-14-8-16(6-7-17(14)23)27-10-15(26)9-21-11-22(12-21,13-21)25-20-24-18-4-2-3-5-19(18)28-20;1-3-26-17(6-13(2)25-26)18(27)8-20-10-21(11-20,12-20)24-19(28)9-29-14-4-5-15(22)16(23)7-14/h3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,25,29)(H,26,30);2*3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,25,28)(H,26,29);2-8H,9-13H2,1H3,(H,24,25);4-7H,3,8-12H2,1-2H3,(H,24,28)/t;2*13-,21?,22?;;/m.10../s1.

What are the key properties of 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2165.50 g/mol, XLogP of 19.67, 33 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1,3-benzoxazol-2-ylamino)-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 159120990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).