3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate

C121H128N12O13 — CID 167643815

About 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate

3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate (PubChem CID 167643815) has the molecular formula C121H128N12O13 and a molecular weight of 1958.43 g/mol. Its IUPAC name is 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate.

Molecular Properties

• Compound Name: 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate
• PubChem CID: 167643815
• Molecular Formula: C121H128N12O13
• Molecular Weight: 1958.43 g/mol
• Exact Mass: 1956.97
• IUPAC Name: 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate
• SMILES: CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4=CC[NH2+]CC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4CCNCC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cn[nH]c4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cnco4)cc3)ccc21.CCC(=O)N1CCc2nc(-c3ccc(C(=O)CCc4cccnc4)cc3)ccc21.O=C[O-]
• InChI: InChI=1S/C25H30N2O2.C25H28N2O2.C24H23N3O2.C23H23N3O2.C23H22N2O3.CH2O2/c2*1-2-25(29)27-16-13-22-17-21(8-9-23(22)27)19-4-6-20(7-5-19)24(28)10-3-18-11-14-26-15-12-18;1-2-24(29)27-15-13-21-22(27)11-10-20(26-21)18-6-8-19(9-7-18)23(28)12-5-17-4-3-14-25-16-17;1-2-23(28)26-12-11-20-13-19(8-9-21(20)26)17-4-6-18(7-5-17)22(27)10-3-16-14-24-25-15-16;1-2-23(27)25-12-11-19-13-18(7-9-21(19)25)16-3-5-17(6-4-16)22(26)10-8-20-14-24-15-28-20;2-1-3/h4-9,17-18,26H,2-3,10-16H2,1H3;4-9,11,17,26H,2-3,10,12-16H2,1H3;3-4,6-11,14,16H,2,5,12-13,15H2,1H3;4-9,13-15H,2-3,10-12H2,1H3,(H,24,25);3-7,9,13-15H,2,8,10-12H2,1H3;1H,(H,2,3)
• InChIKey: PNYXLMDHVNJCDO-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 336.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.43
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate?

The IUPAC name of 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate (CID 167643815) is 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate.

What is the SMILES notation for 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate?

The canonical SMILES for 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate is CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4=CC[NH2+]CC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCC4CCNCC4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cn[nH]c4)cc3)ccc21.CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cnco4)cc3)ccc21.CCC(=O)N1CCc2nc(-c3ccc(C(=O)CCc4cccnc4)cc3)ccc21.O=C[O-].

What is the InChIKey of 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate?

The InChIKey is PNYXLMDHVNJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.C25H28N2O2.C24H23N3O2.C23H23N3O2.C23H22N2O3.CH2O2/c2*1-2-25(29)27-16-13-22-17-21(8-9-23(22)27)19-4-6-20(7-5-19)24(28)10-3-18-11-14-26-15-12-18;1-2-24(29)27-15-13-21-22(27)11-10-20(26-21)18-6-8-19(9-7-18)23(28)12-5-17-4-3-14-25-16-17;1-2-23(28)26-12-11-20-13-19(8-9-21(20)26)17-4-6-18(7-5-17)22(27)10-3-16-14-24-25-15-16;1-2-23(27)25-12-11-19-13-18(7-9-21(19)25)16-3-5-17(6-4-16)22(26)10-8-20-14-24-15-28-20;2-1-3/h4-9,17-18,26H,2-3,10-16H2,1H3;4-9,11,17,26H,2-3,10,12-16H2,1H3;3-4,6-11,14,16H,2,5,12-13,15H2,1H3;4-9,13-15H,2-3,10-12H2,1H3,(H,24,25);3-7,9,13-15H,2,8,10-12H2,1H3;1H,(H,2,3).

What are the key properties of 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate?

3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate has a molecular weight of 1958.43 g/mol, XLogP of 19.40, 30 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-4-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)propan-1-one;1-[4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;formate is sourced from PubChem (CID 167643815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).