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

C26H17N11O2S3 — CID 141015105

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

4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole (PubChem CID 141015105) has the molecular formula C26H17N11O2S3 and a molecular weight of 611.70 g/mol. Its IUPAC name is 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole
• PubChem CID: 141015105
• Molecular Formula: C26H17N11O2S3
• Molecular Weight: 611.70 g/mol
• Exact Mass: 611.07
• IUPAC Name: 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole
• SMILES: c1ccc(C2(c3ccon3)N(c3nccs3)C(c3ccsn3)=C(c3conn3)C(c3csnn3)N2c2ccc[nH]2)nc1
• InChI: InChI=1S/C26H17N11O2S3/c1-2-8-27-19(4-1)26(20-6-11-38-32-20)36(21-5-3-9-28-21)24(18-15-42-35-31-18)22(17-14-39-34-30-17)23(16-7-12-41-33-16)37(26)25-29-10-13-40-25/h1-15,24,28H
• InChIKey: KZNQHHPSVULBGG-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 151.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	611.70
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole (CID 141015105) is 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole.

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

The canonical SMILES for 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole is c1ccc(C2(c3ccon3)N(c3nccs3)C(c3ccsn3)=C(c3conn3)C(c3csnn3)N2c2ccc[nH]2)nc1.

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

The InChIKey is KZNQHHPSVULBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N11O2S3/c1-2-8-27-19(4-1)26(20-6-11-38-32-20)36(21-5-3-9-28-21)24(18-15-42-35-31-18)22(17-14-39-34-30-17)23(16-7-12-41-33-16)37(26)25-29-10-13-40-25/h1-15,24,28H.

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

4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole has a molecular weight of 611.70 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole is sourced from PubChem (CID 141015105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).