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

C20H19N5O3S — CID 90642503

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

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642503) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 90642503
• Molecular Formula: C20H19N5O3S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.12
• IUPAC Name: [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
• InChI: InChI=1S/C20H19N5O3S/c26-20(16-10-15(22-23-16)17-4-2-7-27-17)25-6-1-3-13(11-25)9-18-21-19(24-28-18)14-5-8-29-12-14/h2,4-5,7-8,10,12-13H,1,3,6,9,11H2,(H,22,23)
• InChIKey: DGHYFVUZWBFSQN-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 101.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642503) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.

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

The InChIKey is DGHYFVUZWBFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-20(16-10-15(22-23-16)17-4-2-7-27-17)25-6-1-3-13(11-25)9-18-21-19(24-28-18)14-5-8-29-12-14/h2,4-5,7-8,10,12-13H,1,3,6,9,11H2,(H,22,23).

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

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 409.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).