4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid

C121H117N15O20 — CID 157212214

About 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid

4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid (PubChem CID 157212214) has the molecular formula C121H117N15O20 and a molecular weight of 2101.35 g/mol. Its IUPAC name is 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid.

Molecular Properties

• Compound Name: 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid
• PubChem CID: 157212214
• Molecular Formula: C121H117N15O20
• Molecular Weight: 2101.35 g/mol
• Exact Mass: 2099.86
• IUPAC Name: 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid
• SMILES: Cc1nc(CCOc2ccc(-c3nn(-c4ccccc4)nc3CC(=O)O)cc2)c(C)o1.Cc1nc(CCOc2ccc(C3=NC(c4ccccc4)N=C3C(=O)O)cc2)c(C)o1.Cc1nc(CCOc2ccc(Cc3nn(-c4ccccc4)nc3CC(=O)O)cc2)c(C)o1.Cc1nc(CCOc2cccc(-c3cn(-c4ccccc4)cc3CC(=O)O)c2)c(C)o1.Cc1nc(CCOc2cccc(CCc3cn(-c4ccccc4)cc3C(=O)O)c2)c(C)o1
• InChI: InChI=1S/C26H26N2O4.C25H24N2O4.C24H24N4O4.C23H22N4O4.C23H21N3O4/c1-18-25(27-19(2)32-18)13-14-31-23-10-6-7-20(15-23)11-12-21-16-28(17-24(21)26(29)30)22-8-4-3-5-9-22;1-17-24(26-18(2)31-17)11-12-30-22-10-6-7-19(13-22)23-16-27(15-20(23)14-25(28)29)21-8-4-3-5-9-21;1-16-21(25-17(2)32-16)12-13-31-20-10-8-18(9-11-20)14-22-23(15-24(29)30)27-28(26-22)19-6-4-3-5-7-19;1-15-20(24-16(2)31-15)12-13-30-19-10-8-17(9-11-19)23-21(14-22(28)29)25-27(26-23)18-6-4-3-5-7-18;1-14-19(24-15(2)30-14)12-13-29-18-10-8-16(9-11-18)20-21(23(27)28)26-22(25-20)17-6-4-3-5-7-17/h3-10,15-17H,11-14H2,1-2H3,(H,29,30);3-10,13,15-16H,11-12,14H2,1-2H3,(H,28,29);3-11H,12-15H2,1-2H3,(H,29,30);3-11H,12-14H2,1-2H3,(H,28,29);3-11,22H,12-13H2,1-2H3,(H,27,28)
• InChIKey: ASABLZXXDQSQPS-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 458.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 41
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.35
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid?

The IUPAC name of 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid (CID 157212214) is 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid.

What is the SMILES notation for 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid?

The canonical SMILES for 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid is Cc1nc(CCOc2ccc(-c3nn(-c4ccccc4)nc3CC(=O)O)cc2)c(C)o1.Cc1nc(CCOc2ccc(C3=NC(c4ccccc4)N=C3C(=O)O)cc2)c(C)o1.Cc1nc(CCOc2ccc(Cc3nn(-c4ccccc4)nc3CC(=O)O)cc2)c(C)o1.Cc1nc(CCOc2cccc(-c3cn(-c4ccccc4)cc3CC(=O)O)c2)c(C)o1.Cc1nc(CCOc2cccc(CCc3cn(-c4ccccc4)cc3C(=O)O)c2)c(C)o1.

What is the InChIKey of 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid?

The InChIKey is ASABLZXXDQSQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4.C25H24N2O4.C24H24N4O4.C23H22N4O4.C23H21N3O4/c1-18-25(27-19(2)32-18)13-14-31-23-10-6-7-20(15-23)11-12-21-16-28(17-24(21)26(29)30)22-8-4-3-5-9-22;1-17-24(26-18(2)31-17)11-12-30-22-10-6-7-19(13-22)23-16-27(15-20(23)14-25(28)29)21-8-4-3-5-9-21;1-16-21(25-17(2)32-16)12-13-31-20-10-8-18(9-11-20)14-22-23(15-24(29)30)27-28(26-22)19-6-4-3-5-7-19;1-15-20(24-16(2)31-15)12-13-30-19-10-8-17(9-11-19)23-21(14-22(28)29)25-27(26-23)18-6-4-3-5-7-18;1-14-19(24-15(2)30-14)12-13-29-18-10-8-16(9-11-18)20-21(23(27)28)26-22(25-20)17-6-4-3-5-7-17/h3-10,15-17H,11-14H2,1-2H3,(H,29,30);3-10,13,15-16H,11-12,14H2,1-2H3,(H,28,29);3-11H,12-15H2,1-2H3,(H,29,30);3-11H,12-14H2,1-2H3,(H,28,29);3-11,22H,12-13H2,1-2H3,(H,27,28).

What are the key properties of 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid?

4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid has a molecular weight of 2101.35 g/mol, XLogP of 21.62, 41 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenylpyrrole-3-carboxylic acid;2-[5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyl-2H-imidazole-4-carboxylic acid;2-[4-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid;2-[5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenyltriazol-4-yl]acetic acid is sourced from PubChem (CID 157212214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).