3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

C122H108N18O21 — CID 159403988

About 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid (PubChem CID 159403988) has the molecular formula C122H108N18O21 and a molecular weight of 2162.31 g/mol. Its IUPAC name is 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid.

Molecular Properties

• Compound Name: 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
• PubChem CID: 159403988
• Molecular Formula: C122H108N18O21
• Molecular Weight: 2162.31 g/mol
• Exact Mass: 2160.79
• IUPAC Name: 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
• SMILES: CC(C)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)cc1.CC(C)c1ccc(-c2nnc(-c3cccc(C(=O)O)c3)o2)cc1.CC(C)c1cccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)c1.CN(C)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)cc1.CN(C)c1ccc(-c2nnc(-c3cccc(C(=O)O)c3)o2)cc1.CN(C)c1cccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)c1.CN(C)c1cccc(-c2nnc(-c3cccc(C(=O)O)c3)o2)c1
• InChI: InChI=1S/3C18H16N2O3.4C17H15N3O3/c1-11(2)12-3-5-13(6-4-12)16-19-20-17(23-16)14-7-9-15(10-8-14)18(21)22;1-11(2)14-4-3-5-15(10-14)17-20-19-16(23-17)12-6-8-13(9-7-12)18(21)22;1-11(2)12-6-8-13(9-7-12)16-19-20-17(23-16)14-4-3-5-15(10-14)18(21)22;1-20(2)14-9-7-12(8-10-14)16-19-18-15(23-16)11-3-5-13(6-4-11)17(21)22;1-20(2)14-8-4-6-12(10-14)16-19-18-15(23-16)11-5-3-7-13(9-11)17(21)22;1-20(2)14-5-3-4-13(10-14)16-19-18-15(23-16)11-6-8-12(9-7-11)17(21)22;1-20(2)14-8-6-11(7-9-14)15-18-19-16(23-15)12-4-3-5-13(10-12)17(21)22/h3*3-11H,1-2H3,(H,21,22);4*3-10H,1-2H3,(H,21,22)
• InChIKey: LNSFXCHKSJMUIH-UHFFFAOYSA-N
• XLogP: 25.35
• TPSA: 546.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.31
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid?

The IUPAC name of 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid (CID 159403988) is 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid.

What is the SMILES notation for 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid?

The canonical SMILES for 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid is CC(C)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)cc1.CC(C)c1ccc(-c2nnc(-c3cccc(C(=O)O)c3)o2)cc1.CC(C)c1cccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)c1.CN(C)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)cc1.CN(C)c1ccc(-c2nnc(-c3cccc(C(=O)O)c3)o2)cc1.CN(C)c1cccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)c1.CN(C)c1cccc(-c2nnc(-c3cccc(C(=O)O)c3)o2)c1.

What is the InChIKey of 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid?

The InChIKey is LNSFXCHKSJMUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H16N2O3.4C17H15N3O3/c1-11(2)12-3-5-13(6-4-12)16-19-20-17(23-16)14-7-9-15(10-8-14)18(21)22;1-11(2)14-4-3-5-15(10-14)17-20-19-16(23-17)12-6-8-13(9-7-12)18(21)22;1-11(2)12-6-8-13(9-7-12)16-19-20-17(23-16)14-4-3-5-15(10-14)18(21)22;1-20(2)14-9-7-12(8-10-14)16-19-18-15(23-16)11-3-5-13(6-4-11)17(21)22;1-20(2)14-8-4-6-12(10-14)16-19-18-15(23-16)11-5-3-7-13(9-11)17(21)22;1-20(2)14-5-3-4-13(10-14)16-19-18-15(23-16)11-6-8-12(9-7-11)17(21)22;1-20(2)14-8-6-11(7-9-14)15-18-19-16(23-15)12-4-3-5-13(10-12)17(21)22/h3*3-11H,1-2H3,(H,21,22);4*3-10H,1-2H3,(H,21,22).

What are the key properties of 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid?

3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid has a molecular weight of 2162.31 g/mol, XLogP of 25.35, 28 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoic acid;3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid;4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid is sourced from PubChem (CID 159403988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).