2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole

C29H20N8O2S3 — CID 141019119

About 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole

2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole (PubChem CID 141019119) has the molecular formula C29H20N8O2S3 and a molecular weight of 608.73 g/mol. Its IUPAC name is 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole
• PubChem CID: 141019119
• Molecular Formula: C29H20N8O2S3
• Molecular Weight: 608.73 g/mol
• Exact Mass: 608.09
• IUPAC Name: 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole
• SMILES: c1ccc(C2(c3cccs3)N(c3nccs3)C(c3ccsn3)=C(c3ncco3)C(c3ccon3)N2c2ccc[nH]2)nc1
• InChI: InChI=1S/C29H20N8O2S3/c1-2-10-30-21(5-1)29(22-6-4-16-40-22)36(23-7-3-11-31-23)25(19-8-14-39-34-19)24(27-32-12-15-38-27)26(20-9-17-42-35-20)37(29)28-33-13-18-41-28/h1-18,25,31H
• InChIKey: BPSBXDOGYJOUQY-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 113.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.73
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole (CID 141019119) is 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole is c1ccc(C2(c3cccs3)N(c3nccs3)C(c3ccsn3)=C(c3ncco3)C(c3ccon3)N2c2ccc[nH]2)nc1.

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

The InChIKey is BPSBXDOGYJOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N8O2S3/c1-2-10-30-21(5-1)29(22-6-4-16-40-22)36(23-7-3-11-31-23)25(19-8-14-39-34-19)24(27-32-12-15-38-27)26(20-9-17-42-35-20)37(29)28-33-13-18-41-28/h1-18,25,31H.

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

2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole has a molecular weight of 608.73 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole is sourced from PubChem (CID 141019119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).