2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid

C155H157F15N20O25 — CID 157112224

About 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid

2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid (PubChem CID 157112224) has the molecular formula C155H157F15N20O25 and a molecular weight of 2985.05 g/mol. Its IUPAC name is 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid
• PubChem CID: 157112224
• Molecular Formula: C155H157F15N20O25
• Molecular Weight: 2985.05 g/mol
• Exact Mass: 2983.14
• IUPAC Name: 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid
• SMILES: CC(C)(Oc1cccc2c1ccn2CCCCN1c2ccccc2Oc2ccccc21)C(=O)O.CCCc1c(OCCC(C)CCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCC(C)CCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3Cc2nnn(C)n2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3Cc2nnnn2C)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCn2ccc3c(OCC(=O)O)cccc32)ccc2c(C(F)(F)F)noc12
• InChI: InChI=1S/C28H28N2O4.2C27H29F3N2O5.2C25H25F3N6O3.C23H21F3N2O5/c1-28(2,27(31)32)34-24-15-9-12-21-20(24)16-19-29(21)17-7-8-18-30-22-10-3-5-13-25(22)33-26-14-6-4-11-23(26)30;1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34;1-3-4-20-23(8-6-21-25(20)37-31-26(21)27(28,29)30)36-14-11-17(2)10-13-35-19-5-7-22-18(15-19)9-12-32(22)16-24(33)34;1-3-6-17-21(10-9-18-23(17)37-30-24(18)25(26,27)28)36-14-5-13-35-20-8-4-7-19-16(20)11-12-34(19)15-22-29-31-32-33(22)2;1-3-6-17-21(10-9-18-23(17)37-31-24(18)25(26,27)28)36-14-5-13-35-20-8-4-7-19-16(20)11-12-34(19)15-22-29-32-33(2)30-22;1-2-4-15-19(8-7-16-21(15)33-27-22(16)23(24,25)26)31-12-11-28-10-9-14-17(28)5-3-6-18(14)32-13-20(29)30/h3-6,9-16,19H,7-8,17-18H2,1-2H3,(H,31,32);4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34);5-9,12,15,17H,3-4,10-11,13-14,16H2,1-2H3,(H,33,34);2*4,7-12H,3,5-6,13-15H2,1-2H3;3,5-10H,2,4,11-13H2,1H3,(H,29,30)
• InChIKey: AGZIHLDCDHCUPR-UHFFFAOYSA-N
• XLogP: 35.68
• TPSA: 510.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 61
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2985.05
LogP ≤ 5	35.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid?

The IUPAC name of 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid (CID 157112224) is 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid.

What is the SMILES notation for 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid?

The canonical SMILES for 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid is CC(C)(Oc1cccc2c1ccn2CCCCN1c2ccccc2Oc2ccccc21)C(=O)O.CCCc1c(OCCC(C)CCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCC(C)CCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3Cc2nnn(C)n2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3Cc2nnnn2C)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCn2ccc3c(OCC(=O)O)cccc32)ccc2c(C(F)(F)F)noc12.

What is the InChIKey of 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid?

The InChIKey is AGZIHLDCDHCUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4.2C27H29F3N2O5.2C25H25F3N6O3.C23H21F3N2O5/c1-28(2,27(31)32)34-24-15-9-12-21-20(24)16-19-29(21)17-7-8-18-30-22-10-3-5-13-25(22)33-26-14-6-4-11-23(26)30;1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34;1-3-4-20-23(8-6-21-25(20)37-31-26(21)27(28,29)30)36-14-11-17(2)10-13-35-19-5-7-22-18(15-19)9-12-32(22)16-24(33)34;1-3-6-17-21(10-9-18-23(17)37-30-24(18)25(26,27)28)36-14-5-13-35-20-8-4-7-19-16(20)11-12-34(19)15-22-29-31-32-33(22)2;1-3-6-17-21(10-9-18-23(17)37-31-24(18)25(26,27)28)36-14-5-13-35-20-8-4-7-19-16(20)11-12-34(19)15-22-29-32-33(2)30-22;1-2-4-15-19(8-7-16-21(15)33-27-22(16)23(24,25)26)31-12-11-28-10-9-14-17(28)5-3-6-18(14)32-13-20(29)30/h3-6,9-16,19H,7-8,17-18H2,1-2H3,(H,31,32);4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34);5-9,12,15,17H,3-4,10-11,13-14,16H2,1-2H3,(H,33,34);2*4,7-12H,3,5-6,13-15H2,1-2H3;3,5-10H,2,4,11-13H2,1H3,(H,29,30).

What are the key properties of 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid?

2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid has a molecular weight of 2985.05 g/mol, XLogP of 35.68, 61 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[1-(4-phenoxazin-10-ylbutyl)indol-4-yl]oxypropanoic acid;2-[4-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;6-[3-[1-[(1-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[1-[(2-methyltetrazol-5-yl)methyl]indol-4-yl]oxypropoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;2-[1-[2-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]ethyl]indol-4-yl]oxyacetic acid is sourced from PubChem (CID 157112224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).