2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid

C158H127F21N14O26S — CID 159780808

About 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid

2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid (PubChem CID 159780808) has the molecular formula C158H127F21N14O26S and a molecular weight of 3068.85 g/mol. Its IUPAC name is 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid
• PubChem CID: 159780808
• Molecular Formula: C158H127F21N14O26S
• Molecular Weight: 3068.85 g/mol
• Exact Mass: 3066.84
• IUPAC Name: 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2c(OC(C)(C)C(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2c(OCC(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(OC(C)(C)C(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(OCC(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2ccc(OCC(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(OCC(=O)O)c21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cccc(CC(=O)O)c21
• InChI: InChI=1S/2C24H21F3N2O4.4C22H17F3N2O4.C22H17F3N2O2S/c1-14-20(32-21(28-14)15-4-6-17(7-5-15)24(25,26)27)13-29-11-10-16-12-18(8-9-19(16)29)33-23(2,3)22(30)31;1-14-20(32-21(28-14)15-7-9-16(10-8-15)24(25,26)27)13-29-12-11-17-18(29)5-4-6-19(17)33-23(2,3)22(30)31;1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)11-27-9-8-14-4-7-17(10-18(14)27)30-12-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)11-27-9-8-15-10-17(6-7-18(15)27)30-12-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)11-27-10-9-16-17(27)3-2-4-18(16)30-12-20(28)29;1-13-18(31-21(26-13)15-5-7-16(8-6-15)22(23,24)25)11-27-10-9-14-3-2-4-17(20(14)27)30-12-19(28)29;1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h2*4-12H,13H2,1-3H3,(H,30,31);4*2-10H,11-12H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29)
• InChIKey: NHIJNNMDDOSTFJ-UHFFFAOYSA-N
• XLogP: 38.14
• TPSA: 520.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3068.85
LogP ≤ 5	38.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid?

The IUPAC name of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid (CID 159780808) is 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid.

What is the SMILES notation for 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid?

The canonical SMILES for 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2c(OC(C)(C)C(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2c(OCC(=O)O)cccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(OC(C)(C)C(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cc(OCC(=O)O)ccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2ccc(OCC(=O)O)cc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(OCC(=O)O)c21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cccc(CC(=O)O)c21.

What is the InChIKey of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid?

The InChIKey is NHIJNNMDDOSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21F3N2O4.4C22H17F3N2O4.C22H17F3N2O2S/c1-14-20(32-21(28-14)15-4-6-17(7-5-15)24(25,26)27)13-29-11-10-16-12-18(8-9-19(16)29)33-23(2,3)22(30)31;1-14-20(32-21(28-14)15-7-9-16(10-8-15)24(25,26)27)13-29-12-11-17-18(29)5-4-6-19(17)33-23(2,3)22(30)31;1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)11-27-9-8-14-4-7-17(10-18(14)27)30-12-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)11-27-9-8-15-10-17(6-7-18(15)27)30-12-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)11-27-10-9-16-17(27)3-2-4-18(16)30-12-20(28)29;1-13-18(31-21(26-13)15-5-7-16(8-6-15)22(23,24)25)11-27-10-9-14-3-2-4-17(20(14)27)30-12-19(28)29;1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h2*4-12H,13H2,1-3H3,(H,30,31);4*2-10H,11-12H2,1H3,(H,28,29);2-10H,11-12H2,1H3,(H,28,29).

What are the key properties of 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid?

2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid has a molecular weight of 3068.85 g/mol, XLogP of 38.14, 41 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxypropanoic acid;2-methyl-2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxypropanoic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid is sourced from PubChem (CID 159780808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).