[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C23H23N5O4S — CID 121114541

About [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121114541) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 121114541
• Molecular Formula: C23H23N5O4S
• Molecular Weight: 465.54 g/mol
• Exact Mass: 465.15
• IUPAC Name: [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• SMILES: COc1ccc(OC)c(-c2cc(C(=O)N3CCCC(c4nnc(-c5ccsc5)o4)C3)[nH]n2)c1
• InChI: InChI=1S/C23H23N5O4S/c1-30-16-5-6-20(31-2)17(10-16)18-11-19(25-24-18)23(29)28-8-3-4-14(12-28)21-26-27-22(32-21)15-7-9-33-13-15/h5-7,9-11,13-14H,3-4,8,12H2,1-2H3,(H,24,25)
• InChIKey: RVZJJASTLHPWHT-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 106.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.54
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121114541) is [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCCC(c4nnc(-c5ccsc5)o4)C3)[nH]n2)c1.

What is the InChIKey of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is RVZJJASTLHPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-30-16-5-6-20(31-2)17(10-16)18-11-19(25-24-18)23(29)28-8-3-4-14(12-28)21-26-27-22(32-21)15-7-9-33-13-15/h5-7,9-11,13-14H,3-4,8,12H2,1-2H3,(H,24,25).

What are the key properties of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?

[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 465.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121114541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).