3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine

C22H16N8O2S3 — CID 141019121

About 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine

3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine (PubChem CID 141019121) has the molecular formula C22H16N8O2S3 and a molecular weight of 520.63 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine
• PubChem CID: 141019121
• Molecular Formula: C22H16N8O2S3
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.06
• IUPAC Name: 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine
• SMILES: c1c[nH]c(C2(c3ncco3)N(c3cccs3)OC(c3nccs3)C2(c2ccsn2)c2ncn[nH]2)c1
• InChI: InChI=1S/C22H16N8O2S3/c1-3-15(23-6-1)22(20-25-7-9-31-20)21(14-5-11-35-29-14,19-26-13-27-28-19)17(18-24-8-12-34-18)32-30(22)16-4-2-10-33-16/h1-13,17,23H,(H,26,27,28)
• InChIKey: GJHREZFDCYPPOJ-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 121.64 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	520.63
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine?

The IUPAC name of 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine (CID 141019121) is 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine.

What is the SMILES notation for 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine?

The canonical SMILES for 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine is c1c[nH]c(C2(c3ncco3)N(c3cccs3)OC(c3nccs3)C2(c2ccsn2)c2ncn[nH]2)c1.

What is the InChIKey of 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine?

The InChIKey is GJHREZFDCYPPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8O2S3/c1-3-15(23-6-1)22(20-25-7-9-31-20)21(14-5-11-35-29-14,19-26-13-27-28-19)17(18-24-8-12-34-18)32-30(22)16-4-2-10-33-16/h1-13,17,23H,(H,26,27,28).

What are the key properties of 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine?

3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine has a molecular weight of 520.63 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine is sourced from PubChem (CID 141019121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).