2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole

C25H16N14OS2 — CID 141079867

About 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole

2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole (PubChem CID 141079867) has the molecular formula C25H16N14OS2 and a molecular weight of 592.63 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole
• PubChem CID: 141079867
• Molecular Formula: C25H16N14OS2
• Molecular Weight: 592.63 g/mol
• Exact Mass: 592.11
• IUPAC Name: 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole
• SMILES: c1ccc(C2(c3ncco3)C(c3csnn3)=C(c3ncc[nH]3)N(c3nccs3)C2(c2ncccn2)c2nn[nH]n2)nc1
• InChI: InChI=1S/C25H16N14OS2/c1-2-5-26-16(4-1)24(22-31-10-12-40-22)17(15-14-42-38-33-15)18(19-27-8-9-28-19)39(23-32-11-13-41-23)25(24,21-34-36-37-35-21)20-29-6-3-7-30-20/h1-14H,(H,27,28)(H,34,35,36,37)
• InChIKey: DNSKFPOUXHOSFC-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 189.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.63
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole (CID 141079867) is 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole is c1ccc(C2(c3ncco3)C(c3csnn3)=C(c3ncc[nH]3)N(c3nccs3)C2(c2ncccn2)c2nn[nH]n2)nc1.

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

The InChIKey is DNSKFPOUXHOSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N14OS2/c1-2-5-26-16(4-1)24(22-31-10-12-40-22)17(15-14-42-38-33-15)18(19-27-8-9-28-19)39(23-32-11-13-41-23)25(24,21-34-36-37-35-21)20-29-6-3-7-30-20/h1-14H,(H,27,28)(H,34,35,36,37).

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

2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole has a molecular weight of 592.63 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole is sourced from PubChem (CID 141079867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).