6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid

C94H90F12N8O18 — CID 162244100

About 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid

6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid (PubChem CID 162244100) has the molecular formula C94H90F12N8O18 and a molecular weight of 1847.77 g/mol. Its IUPAC name is 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid.

Molecular Properties

• Compound Name: 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid
• PubChem CID: 162244100
• Molecular Formula: C94H90F12N8O18
• Molecular Weight: 1847.77 g/mol
• Exact Mass: 1846.62
• IUPAC Name: 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid
• SMILES: CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2ccc3cc[nH]c3c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2ccc3ccn(CC(=O)O)c3c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12
• InChI: InChI=1S/3C24H23F3N2O5.C22H21F3N2O3/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31;1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)32-12-3-10-29-11-9-15-13-16(5-7-19(15)29)33-14-21(30)31;1-2-4-17-20(8-7-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-6-5-15-9-10-29(14-21(30)31)19(15)13-16;1-2-4-16-19(8-7-17-20(16)30-27-21(17)22(23,24)25)29-12-3-11-28-15-6-5-14-9-10-26-18(14)13-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31);5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31);5-10,13H,2-4,11-12,14H2,1H3,(H,30,31);5-10,13,26H,2-4,11-12H2,1H3
• InChIKey: ZXCCHGKDJFHWBQ-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 320.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 38
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.77
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid?

The IUPAC name of 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid (CID 162244100) is 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid.

What is the SMILES notation for 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid?

The canonical SMILES for 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid is CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2ccc3cc[nH]c3c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2ccc3ccn(CC(=O)O)c3c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12.

What is the InChIKey of 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid?

The InChIKey is ZXCCHGKDJFHWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H23F3N2O5.C22H21F3N2O3/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31;1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)32-12-3-10-29-11-9-15-13-16(5-7-19(15)29)33-14-21(30)31;1-2-4-17-20(8-7-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-6-5-15-9-10-29(14-21(30)31)19(15)13-16;1-2-4-16-19(8-7-17-20(16)30-27-21(17)22(23,24)25)29-12-3-11-28-15-6-5-14-9-10-26-18(14)13-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31);5-9,11,13H,2-4,10,12,14H2,1H3,(H,30,31);5-10,13H,2-4,11-12,14H2,1H3,(H,30,31);5-10,13,26H,2-4,11-12H2,1H3.

What are the key properties of 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid?

6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid has a molecular weight of 1847.77 g/mol, XLogP of 23.19, 38 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(1H-indol-6-yloxy)propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid is sourced from PubChem (CID 162244100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).