2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole

C25H19N15OS — CID 141050925

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

2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole (PubChem CID 141050925) has the molecular formula C25H19N15OS and a molecular weight of 577.60 g/mol. Its IUPAC name is 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
• PubChem CID: 141050925
• Molecular Formula: C25H19N15OS
• Molecular Weight: 577.60 g/mol
• Exact Mass: 577.16
• IUPAC Name: 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
• SMILES: c1ccc(C2(c3ncco3)N(c3nccs3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C(c3nn[nH]n3)N2c2ccc[nH]2)nc1
• InChI: InChI=1S/C25H19N15OS/c1-2-6-26-16(4-1)25(23-30-10-12-41-23)39(17-5-3-7-27-17)20(22-34-37-38-35-22)18(15-14-32-36-33-15)19(21-28-8-9-29-21)40(25)24-31-11-13-42-24/h1-14,20,27H,(H,28,29)(H,32,33,36)(H,34,35,37,38)
• InChIKey: HJTFXEJQNNTZEL-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 198.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.60
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole (CID 141050925) is 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole is c1ccc(C2(c3ncco3)N(c3nccs3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C(c3nn[nH]n3)N2c2ccc[nH]2)nc1.

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

The InChIKey is HJTFXEJQNNTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N15OS/c1-2-6-26-16(4-1)25(23-30-10-12-41-23)39(17-5-3-7-27-17)20(22-34-37-38-35-22)18(15-14-32-36-33-15)19(21-28-8-9-29-21)40(25)24-31-11-13-42-24/h1-14,20,27H,(H,28,29)(H,32,33,36)(H,34,35,37,38).

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

2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole has a molecular weight of 577.60 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141050925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).