3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole

C87H80Cl4N20O6 — CID 161068162

About 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole (PubChem CID 161068162) has the molecular formula C87H80Cl4N20O6 and a molecular weight of 1643.54 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole
• PubChem CID: 161068162
• Molecular Formula: C87H80Cl4N20O6
• Molecular Weight: 1643.54 g/mol
• Exact Mass: 1640.53
• IUPAC Name: 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole
• SMILES: COc1ccc(-c2ncc(CC(C)c3nc(-c4cccc(Cl)c4)no3)n2C)cc1.COc1ccc(-c2ncc(CCc3nc(-c4cccc(Cl)c4)no3)n2C2CC2)cc1.C[C@@H](Cc1nnc(-c2ccncc2)n1C1CC1)c1nc(-c2cccc(Cl)c2)no1.C[C@H](Cc1nnc(-c2ccncc2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1
• InChI: InChI=1S/C23H21ClN4O2.C22H21ClN4O2.2C21H19ClN6O/c1-29-20-10-5-15(6-11-20)23-25-14-19(28(23)18-7-8-18)9-12-21-26-22(27-30-21)16-3-2-4-17(24)13-16;1-14(22-25-20(26-29-22)16-5-4-6-17(23)12-16)11-18-13-24-21(27(18)2)15-7-9-19(28-3)10-8-15;1-13(21-24-19(27-29-21)15-3-2-4-16(22)12-15)11-18-25-26-20(28(18)17-5-6-17)14-7-9-23-10-8-14;1-13(20-26-27-21(29-20)15-3-2-4-16(22)12-15)11-18-24-25-19(28(18)17-5-6-17)14-7-9-23-10-8-14/h2-6,10-11,13-14,18H,7-9,12H2,1H3;4-10,12-14H,11H2,1-3H3;2*2-4,7-10,12-13,17H,5-6,11H2,1H3/t;;2*13-/m..01/s1
• InChIKey: UEHPSTMDEKPLBZ-HPKFPRLESA-N
• XLogP: 19.98
• TPSA: 296.98 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1643.54
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole (CID 161068162) is 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole is COc1ccc(-c2ncc(CC(C)c3nc(-c4cccc(Cl)c4)no3)n2C)cc1.COc1ccc(-c2ncc(CCc3nc(-c4cccc(Cl)c4)no3)n2C2CC2)cc1.C[C@@H](Cc1nnc(-c2ccncc2)n1C1CC1)c1nc(-c2cccc(Cl)c2)no1.C[C@H](Cc1nnc(-c2ccncc2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1.

What is the InChIKey of 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole?

The InChIKey is UEHPSTMDEKPLBZ-HPKFPRLESA-N. The full InChI is InChI=1S/C23H21ClN4O2.C22H21ClN4O2.2C21H19ClN6O/c1-29-20-10-5-15(6-11-20)23-25-14-19(28(23)18-7-8-18)9-12-21-26-22(27-30-21)16-3-2-4-17(24)13-16;1-14(22-25-20(26-29-22)16-5-4-6-17(23)12-16)11-18-13-24-21(27(18)2)15-7-9-19(28-3)10-8-15;1-13(21-24-19(27-29-21)15-3-2-4-16(22)12-15)11-18-25-26-20(28(18)17-5-6-17)14-7-9-23-10-8-14;1-13(20-26-27-21(29-20)15-3-2-4-16(22)12-15)11-18-24-25-19(28(18)17-5-6-17)14-7-9-23-10-8-14/h2-6,10-11,13-14,18H,7-9,12H2,1H3;4-10,12-14H,11H2,1-3H3;2*2-4,7-10,12-13,17H,5-6,11H2,1H3/t;;2*13-/m..01/s1.

What are the key properties of 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole?

3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 1643.54 g/mol, XLogP of 19.98, 25 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 161068162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).