2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole

C28H19N15O2S2 — CID 141429361

About 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole

2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole (PubChem CID 141429361) has the molecular formula C28H19N15O2S2 and a molecular weight of 661.70 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
• PubChem CID: 141429361
• Molecular Formula: C28H19N15O2S2
• Molecular Weight: 661.70 g/mol
• Exact Mass: 661.13
• IUPAC Name: 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2(c3ncco3)N(c3ccon3)C(c3nccs3)=C(c3ccsn3)N(c3cn[nH]n3)C2(c2ccnnn2)c2ccn[nH]2)c1
• InChI: InChI=1S/C28H19N15O2S2/c1-2-18(29-7-1)28(26-31-10-13-44-26)27(19-3-8-32-35-19,20-4-9-33-40-36-20)43(22-16-34-41-37-22)23(17-6-14-47-39-17)24(25-30-11-15-46-25)42(28)21-5-12-45-38-21/h1-16,29H,(H,32,35)(H,34,37,41)
• InChIKey: WKYJMDLYMXKNFD-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 209.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.70
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole?

The IUPAC name of 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole (CID 141429361) is 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole.

What is the SMILES notation for 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole?

The canonical SMILES for 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole is c1c[nH]c(C2(c3ncco3)N(c3ccon3)C(c3nccs3)=C(c3ccsn3)N(c3cn[nH]n3)C2(c2ccnnn2)c2ccn[nH]2)c1.

What is the InChIKey of 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole?

The InChIKey is WKYJMDLYMXKNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N15O2S2/c1-2-18(29-7-1)28(26-31-10-13-44-26)27(19-3-8-32-35-19,20-4-9-33-40-36-20)43(22-16-34-41-37-22)23(17-6-14-47-39-17)24(25-30-11-15-46-25)42(28)21-5-12-45-38-21/h1-16,29H,(H,32,35)(H,34,37,41).

What are the key properties of 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole?

2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole has a molecular weight of 661.70 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141429361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).