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

C22H15N9O2S2 — CID 140970264

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

2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole (PubChem CID 140970264) has the molecular formula C22H15N9O2S2 and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole
• PubChem CID: 140970264
• Molecular Formula: C22H15N9O2S2
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.08
• IUPAC Name: 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2(c3ncc[nH]3)C(c3ccsn3)=C(c3nccs3)N(c3ccon3)N2c2ncco2)c1
• InChI: InChI=1S/C22H15N9O2S2/c1-2-15(23-5-1)22(20-25-6-7-26-20)17(14-4-12-35-29-14)18(19-24-9-13-34-19)30(16-3-10-33-28-16)31(22)21-27-8-11-32-21/h1-13,23H,(H,25,26)
• InChIKey: WWOZQXRVDKASOM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 128.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole (CID 140970264) is 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole is c1c[nH]c(C2(c3ncc[nH]3)C(c3ccsn3)=C(c3nccs3)N(c3ccon3)N2c2ncco2)c1.

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

The InChIKey is WWOZQXRVDKASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N9O2S2/c1-2-15(23-5-1)22(20-25-6-7-26-20)17(14-4-12-35-29-14)18(19-24-9-13-34-19)30(16-3-10-33-28-16)31(22)21-27-8-11-32-21/h1-13,23H,(H,25,26).

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

2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole has a molecular weight of 501.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 140970264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).