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

C24H17N13O2S2 — CID 141010158

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

2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole (PubChem CID 141010158) has the molecular formula C24H17N13O2S2 and a molecular weight of 583.62 g/mol. Its IUPAC name is 2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole
• PubChem CID: 141010158
• Molecular Formula: C24H17N13O2S2
• Molecular Weight: 583.62 g/mol
• Exact Mass: 583.11
• IUPAC Name: 2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2(c3ccon3)NC(c3ccsn3)=C(c3ncco3)N(c3nccs3)C2(c2nn[nH]n2)c2ccn[nH]2)c1
• InChI: InChI=1S/C24H17N13O2S2/c1-2-15(25-6-1)23(16-4-10-39-33-16)24(17-3-7-28-30-17,21-31-35-36-32-21)37(22-27-9-13-40-22)19(20-26-8-11-38-20)18(29-23)14-5-12-41-34-14/h1-13,25,29H,(H,28,30)(H,31,32,35,36)
• InChIKey: UCLDACHAYDDUTN-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 192.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.62
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole (CID 141010158) is 2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole is c1c[nH]c(C2(c3ccon3)NC(c3ccsn3)=C(c3ncco3)N(c3nccs3)C2(c2nn[nH]n2)c2ccn[nH]2)c1.

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

The InChIKey is UCLDACHAYDDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N13O2S2/c1-2-15(25-6-1)23(16-4-10-39-33-16)24(17-3-7-28-30-17,21-31-35-36-32-21)37(22-27-9-13-40-22)19(20-26-8-11-38-20)18(29-23)14-5-12-41-34-14/h1-13,25,29H,(H,28,30)(H,31,32,35,36).

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

2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole has a molecular weight of 583.62 g/mol, XLogP of 2.96, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole is sourced from PubChem (CID 141010158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).