2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one

C94H97Cl4F2N9O14 — CID 159186806

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one (PubChem CID 159186806) has the molecular formula C94H97Cl4F2N9O14 and a molecular weight of 1756.67 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one
• PubChem CID: 159186806
• Molecular Formula: C94H97Cl4F2N9O14
• Molecular Weight: 1756.67 g/mol
• Exact Mass: 1753.59
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one
• SMILES: CCCCC(=O)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccn1.CCc1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(CCC5CC5)cn4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)CC23CC(Nc4noc(-c5ccc(Cl)cc5)n4)(C2)C3)cc1
• InChI: InChI=1S/C26H29ClN2O3.C25H26ClFN2O4.C23H22ClN3O3.C20H20ClFN2O4/c1-17-10-21(7-8-22(17)27)32-13-20(30)11-25-14-26(15-25,16-25)29-24(31)23-9-6-19(12-28-23)5-4-18-2-3-18;1-2-3-4-21(30)20-9-16(7-8-28-20)22(31)11-24-13-25(14-24,15-24)29-23(32)12-33-17-5-6-18(26)19(27)10-17;1-15-2-8-19(9-3-15)29-11-18(28)10-22-12-23(13-22,14-22)26-21-25-20(30-27-21)16-4-6-17(24)7-5-16;1-2-18-23-7-16(28-18)15(25)6-19-9-20(10-19,11-19)24-17(26)8-27-12-3-4-13(21)14(22)5-12/h6-10,12,18H,2-5,11,13-16H2,1H3,(H,29,31);5-10H,2-4,11-15H2,1H3,(H,29,32);2-9H,10-14H2,1H3,(H,26,27);3-5,7H,2,6,8-11H2,1H3,(H,24,26)
• InChIKey: KNPAGNMLDDYYOC-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 312.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.67
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one (CID 159186806) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one is CCCCC(=O)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccn1.CCc1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(CCC5CC5)cn4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)CC23CC(Nc4noc(-c5ccc(Cl)cc5)n4)(C2)C3)cc1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

The InChIKey is KNPAGNMLDDYYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3.C25H26ClFN2O4.C23H22ClN3O3.C20H20ClFN2O4/c1-17-10-21(7-8-22(17)27)32-13-20(30)11-25-14-26(15-25,16-25)29-24(31)23-9-6-19(12-28-23)5-4-18-2-3-18;1-2-3-4-21(30)20-9-16(7-8-28-20)22(31)11-24-13-25(14-24,15-24)29-23(32)12-33-17-5-6-18(26)19(27)10-17;1-15-2-8-19(9-3-15)29-11-18(28)10-22-12-23(13-22,14-22)26-21-25-20(30-27-21)16-4-6-17(24)7-5-16;1-2-18-23-7-16(28-18)15(25)6-19-9-20(10-19,11-19)24-17(26)8-27-12-3-4-13(21)14(22)5-12/h6-10,12,18H,2-5,11,13-16H2,1H3,(H,29,31);5-10H,2-4,11-15H2,1H3,(H,29,32);2-9H,10-14H2,1H3,(H,26,27);3-5,7H,2,6,8-11H2,1H3,(H,24,26).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one?

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one has a molecular weight of 1756.67 g/mol, XLogP of 18.81, 37 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-pentanoyl-4-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyclopropylethyl)pyridine-2-carboxamide;1-[3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenoxy)propan-2-one is sourced from PubChem (CID 159186806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).