4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one

C119H119ClN12O17 — CID 161296828

About 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one

4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one (PubChem CID 161296828) has the molecular formula C119H119ClN12O17 and a molecular weight of 2024.78 g/mol. Its IUPAC name is 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one.

Molecular Properties

• Compound Name: 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one
• PubChem CID: 161296828
• Molecular Formula: C119H119ClN12O17
• Molecular Weight: 2024.78 g/mol
• Exact Mass: 2022.85
• IUPAC Name: 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one
• SMILES: CC(=O)CCCn1ncc2c(OCCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)CCn1cc(Cl)c2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)Cn1ncc2c(OCCCc3nc(-c4ccccc4)oc3C)cccc21.Cc1oc(-c2ccccc2)nc1CCOc1ccc2ccn(CCC(=O)O)c2c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc2ccn(CCCC(=O)O)c2c1
• InChI: InChI=1S/C25H27N3O3.C24H23ClN2O3.C24H24N2O4.C23H23N3O3.C23H22N2O4/c1-18(29)9-7-15-28-23-13-6-14-24(21(23)17-26-28)30-16-8-12-22-19(2)31-25(27-22)20-10-4-3-5-11-20;1-16(28)11-13-27-15-19(25)23-21(27)9-6-10-22(23)29-14-12-20-17(2)30-24(26-20)18-7-4-3-5-8-18;1-17-21(25-24(30-17)19-6-3-2-4-7-19)12-15-29-20-10-9-18-11-14-26(22(18)16-20)13-5-8-23(27)28;1-16(27)15-26-21-11-6-12-22(19(21)14-24-26)28-13-7-10-20-17(2)29-23(25-20)18-8-4-3-5-9-18;1-16-20(24-23(29-16)18-5-3-2-4-6-18)11-14-28-19-8-7-17-9-12-25(21(17)15-19)13-10-22(26)27/h3-6,10-11,13-14,17H,7-9,12,15-16H2,1-2H3;3-10,15H,11-14H2,1-2H3;2-4,6-7,9-11,14,16H,5,8,12-13,15H2,1H3,(H,27,28);3-6,8-9,11-12,14H,7,10,13,15H2,1-2H3;2-9,12,15H,10-11,13-14H2,1H3,(H,26,27)
• InChIKey: VHBWGCBVXXZTEN-UHFFFAOYSA-N
• XLogP: 25.63
• TPSA: 352.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 43
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2024.78
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one?

The IUPAC name of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one (CID 161296828) is 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one.

What is the SMILES notation for 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one?

The canonical SMILES for 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one is CC(=O)CCCn1ncc2c(OCCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)CCn1cc(Cl)c2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)Cn1ncc2c(OCCCc3nc(-c4ccccc4)oc3C)cccc21.Cc1oc(-c2ccccc2)nc1CCOc1ccc2ccn(CCC(=O)O)c2c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc2ccn(CCCC(=O)O)c2c1.

What is the InChIKey of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one?

The InChIKey is VHBWGCBVXXZTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.C24H23ClN2O3.C24H24N2O4.C23H23N3O3.C23H22N2O4/c1-18(29)9-7-15-28-23-13-6-14-24(21(23)17-26-28)30-16-8-12-22-19(2)31-25(27-22)20-10-4-3-5-11-20;1-16(28)11-13-27-15-19(25)23-21(27)9-6-10-22(23)29-14-12-20-17(2)30-24(26-20)18-7-4-3-5-8-18;1-17-21(25-24(30-17)19-6-3-2-4-7-19)12-15-29-20-10-9-18-11-14-26(22(18)16-20)13-5-8-23(27)28;1-16(27)15-26-21-11-6-12-22(19(21)14-24-26)28-13-7-10-20-17(2)29-23(25-20)18-8-4-3-5-9-18;1-16-20(24-23(29-16)18-5-3-2-4-6-18)11-14-28-19-8-7-17-9-12-25(21(17)15-19)13-10-22(26)27/h3-6,10-11,13-14,17H,7-9,12,15-16H2,1-2H3;3-10,15H,11-14H2,1-2H3;2-4,6-7,9-11,14,16H,5,8,12-13,15H2,1H3,(H,27,28);3-6,8-9,11-12,14H,7,10,13,15H2,1-2H3;2-9,12,15H,10-11,13-14H2,1H3,(H,26,27).

What are the key properties of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one?

4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one has a molecular weight of 2024.78 g/mol, XLogP of 25.63, 43 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butanoic acid;3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid;5-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]pentan-2-one;1-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-1-yl]propan-2-one is sourced from PubChem (CID 161296828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).