2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole

C24H20N8O2S2 — CID 140997550

About 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole

2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole (PubChem CID 140997550) has the molecular formula C24H20N8O2S2 and a molecular weight of 516.61 g/mol. Its IUPAC name is 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
• PubChem CID: 140997550
• Molecular Formula: C24H20N8O2S2
• Molecular Weight: 516.61 g/mol
• Exact Mass: 516.12
• IUPAC Name: 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
• SMILES: CN1C(c2nccs2)C(c2ccon2)(c2cccs2)C(c2ccc[nH]2)(c2ccn[nH]2)N1c1ncco1
• InChI: InChI=1S/C24H20N8O2S2/c1-31-20(21-26-11-15-36-21)23(16-7-12-34-30-16,19-5-3-14-35-19)24(17-4-2-8-25-17,18-6-9-28-29-18)32(31)22-27-10-13-33-22/h2-15,20,25H,1H3,(H,28,29)
• InChIKey: YHQRDUDSMWERHM-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 115.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

The IUPAC name of 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole (CID 140997550) is 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole is CN1C(c2nccs2)C(c2ccon2)(c2cccs2)C(c2ccc[nH]2)(c2ccn[nH]2)N1c1ncco1.

What is the InChIKey of 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

The InChIKey is YHQRDUDSMWERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2S2/c1-31-20(21-26-11-15-36-21)23(16-7-12-34-30-16,19-5-3-14-35-19)24(17-4-2-8-25-17,18-6-9-28-29-18)32(31)22-27-10-13-33-22/h2-15,20,25H,1H3,(H,28,29).

What are the key properties of 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole has a molecular weight of 516.61 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 140997550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).