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

C26H19N11O2S2 — CID 141033466

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

2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole (PubChem CID 141033466) has the molecular formula C26H19N11O2S2 and a molecular weight of 581.65 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole
• PubChem CID: 141033466
• Molecular Formula: C26H19N11O2S2
• Molecular Weight: 581.65 g/mol
• Exact Mass: 581.12
• IUPAC Name: 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole
• SMILES: c1ccc(N2CC(c3ncc[nH]3)(c3ncco3)C(c3ccon3)(c3nccs3)C2(c2csnn2)c2ccn[nH]2)nc1
• InChI: InChI=1S/C26H19N11O2S2/c1-2-6-27-20(3-1)37-16-24(21-28-8-9-29-21,22-30-10-13-38-22)25(17-5-12-39-35-17,23-31-11-14-40-23)26(37,18-4-7-32-33-18)19-15-41-36-34-19/h1-15H,16H2,(H,28,29)(H,32,33)
• InChIKey: NJJUORINCSHVHV-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 164.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.65
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole (CID 141033466) is 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole is c1ccc(N2CC(c3ncc[nH]3)(c3ncco3)C(c3ccon3)(c3nccs3)C2(c2csnn2)c2ccn[nH]2)nc1.

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

The InChIKey is NJJUORINCSHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N11O2S2/c1-2-6-27-20(3-1)37-16-24(21-28-8-9-29-21,22-30-10-13-38-22)25(17-5-12-39-35-17,23-31-11-14-40-23)26(37,18-4-7-32-33-18)19-15-41-36-34-19/h1-15H,16H2,(H,28,29)(H,32,33).

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

2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 581.65 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 141033466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).