2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole

C108H115N22O5+ — CID 159889671

About 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole

2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole (PubChem CID 159889671) has the molecular formula C108H115N22O5+ and a molecular weight of 1801.26 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole
• PubChem CID: 159889671
• Molecular Formula: C108H115N22O5+
• Molecular Weight: 1801.26 g/mol
• Exact Mass: 1799.94
• IUPAC Name: 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole
• SMILES: CC(C)(Cc1ccccc1)c1nnc(Cc2cnc3[n+](c2)N=CC3)o1.CC(C)(Cc1ccccc1)c1nnc(Cn2ncc3ccccc32)o1.CCc1nc2ccccc2n1CCc1nnc(C(C)(C)Cc2ccccc2)o1.Cc1c(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c(-c2ccccc2)nn1-c1ccccc1.Cc1cc(C)n(C(C)c2nnc(C(C)(C)Cc3ccccc3)o2)n1
• InChI: InChI=1S/C27H25N5O.C23H26N4O.C20H20N4O.C19H20N5O.C19H24N4O/c1-19-23(25-29-30-26(33-25)27(2,28)18-20-12-6-3-7-13-20)24(21-14-8-4-9-15-21)31-32(19)22-16-10-5-11-17-22;1-4-20-24-18-12-8-9-13-19(18)27(20)15-14-21-25-26-22(28-21)23(2,3)16-17-10-6-5-7-11-17;1-20(2,12-15-8-4-3-5-9-15)19-23-22-18(25-19)14-24-17-11-7-6-10-16(17)13-21-24;1-19(2,11-14-6-4-3-5-7-14)18-23-22-17(25-18)10-15-12-20-16-8-9-21-24(16)13-15;1-13-11-14(2)23(22-13)15(3)17-20-21-18(24-17)19(4,5)12-16-9-7-6-8-10-16/h3-17H,18,28H2,1-2H3;5-13H,4,14-16H2,1-3H3;3-11,13H,12,14H2,1-2H3;3-7,9,12-13H,8,10-11H2,1-2H3;6-11,15H,12H2,1-5H3/q;;;+1;/t27-;;;;/m1..../s1
• InChIKey: DPTXIMBTUYXPPT-HCFFZXORSA-N
• XLogP: 20.31
• TPSA: 321.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.26
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole?

The IUPAC name of 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole (CID 159889671) is 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole is CC(C)(Cc1ccccc1)c1nnc(Cc2cnc3[n+](c2)N=CC3)o1.CC(C)(Cc1ccccc1)c1nnc(Cn2ncc3ccccc32)o1.CCc1nc2ccccc2n1CCc1nnc(C(C)(C)Cc2ccccc2)o1.Cc1c(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c(-c2ccccc2)nn1-c1ccccc1.Cc1cc(C)n(C(C)c2nnc(C(C)(C)Cc3ccccc3)o2)n1.

What is the InChIKey of 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole?

The InChIKey is DPTXIMBTUYXPPT-HCFFZXORSA-N. The full InChI is InChI=1S/C27H25N5O.C23H26N4O.C20H20N4O.C19H20N5O.C19H24N4O/c1-19-23(25-29-30-26(33-25)27(2,28)18-20-12-6-3-7-13-20)24(21-14-8-4-9-15-21)31-32(19)22-16-10-5-11-17-22;1-4-20-24-18-12-8-9-13-19(18)27(20)15-14-21-25-26-22(28-21)23(2,3)16-17-10-6-5-7-11-17;1-20(2,12-15-8-4-3-5-9-15)19-23-22-18(25-19)14-24-17-11-7-6-10-16(17)13-21-24;1-19(2,11-14-6-4-3-5-7-14)18-23-22-17(25-18)10-15-12-20-16-8-9-21-24(16)13-15;1-13-11-14(2)23(22-13)15(3)17-20-21-18(24-17)19(4,5)12-16-9-7-6-8-10-16/h3-17H,18,28H2,1-2H3;5-13H,4,14-16H2,1-3H3;3-11,13H,12,14H2,1-2H3;3-7,9,12-13H,8,10-11H2,1-2H3;6-11,15H,12H2,1-5H3/q;;;+1;/t27-;;;;/m1..../s1.

What are the key properties of 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole?

2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 1801.26 g/mol, XLogP of 20.31, 28 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 159889671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).