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

C20H15N7O2S — CID 140973569

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

2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole (PubChem CID 140973569) has the molecular formula C20H15N7O2S and a molecular weight of 417.45 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole
• PubChem CID: 140973569
• Molecular Formula: C20H15N7O2S
• Molecular Weight: 417.45 g/mol
• Exact Mass: 417.10
• IUPAC Name: 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole
• SMILES: c1c[nH]c(N2C(c3ncco3)=C(c3ccon3)C(c3ncc[nH]3)N2c2cccs2)c1
• InChI: InChI=1S/C20H15N7O2S/c1-3-14(21-6-1)26-18(20-24-9-11-28-20)16(13-5-10-29-25-13)17(19-22-7-8-23-19)27(26)15-4-2-12-30-15/h1-12,17,21H,(H,22,23)
• InChIKey: SEWXJRWYRDEEGZ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 103.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.45
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole (CID 140973569) is 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole is c1c[nH]c(N2C(c3ncco3)=C(c3ccon3)C(c3ncc[nH]3)N2c2cccs2)c1.

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

The InChIKey is SEWXJRWYRDEEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2S/c1-3-14(21-6-1)26-18(20-24-9-11-28-20)16(13-5-10-29-25-13)17(19-22-7-8-23-19)27(26)15-4-2-12-30-15/h1-12,17,21H,(H,22,23).

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

2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole has a molecular weight of 417.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 140973569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).