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

C19H13N13O2S — CID 141084269

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

2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole (PubChem CID 141084269) has the molecular formula C19H13N13O2S and a molecular weight of 487.47 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole
• PubChem CID: 141084269
• Molecular Formula: C19H13N13O2S
• Molecular Weight: 487.47 g/mol
• Exact Mass: 487.10
• IUPAC Name: 2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2=C(c3cn[nH]n3)N(c3ccsn3)C(c3nn[nH]n3)(c3ncco3)N2c2ccon2)c1
• InChI: InChI=1S/C19H13N13O2S/c1-2-11(20-5-1)15-16(12-10-22-28-23-12)32(14-4-9-35-27-14)19(17-24-29-30-25-17,18-21-6-8-33-18)31(15)13-3-7-34-26-13/h1-10,20H,(H,22,23,28)(H,24,25,29,30)
• InChIKey: HAAVJAZDEAPLIH-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 183.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.47
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole (CID 141084269) is 2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole is c1c[nH]c(C2=C(c3cn[nH]n3)N(c3ccsn3)C(c3nn[nH]n3)(c3ncco3)N2c2ccon2)c1.

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

The InChIKey is HAAVJAZDEAPLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N13O2S/c1-2-11(20-5-1)15-16(12-10-22-28-23-12)32(14-4-9-35-27-14)19(17-24-29-30-25-17,18-21-6-8-33-18)31(15)13-3-7-34-26-13/h1-10,20H,(H,22,23,28)(H,24,25,29,30).

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

2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole has a molecular weight of 487.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 141084269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).