4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine

C22H17N15O2S — CID 141325334

About 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine

4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine (PubChem CID 141325334) has the molecular formula C22H17N15O2S and a molecular weight of 555.55 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine.

Molecular Properties

• Compound Name: 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
• PubChem CID: 141325334
• Molecular Formula: C22H17N15O2S
• Molecular Weight: 555.55 g/mol
• Exact Mass: 555.14
• IUPAC Name: 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
• SMILES: c1c[nH]c(C2(c3nccs3)ON(c3nn[nH]n3)C(c3cn[nH]n3)(c3ncco3)C2(c2ccn[nH]2)c2ncc[nH]2)c1
• InChI: InChI=1S/C22H17N15O2S/c1-2-14(23-4-1)22(18-27-9-11-40-18)20(13-3-5-28-30-13,16-24-6-7-25-16)21(15-12-29-34-31-15,17-26-8-10-38-17)37(39-22)19-32-35-36-33-19/h1-12,23H,(H,24,25)(H,28,30)(H,29,31,34)(H,32,33,35,36)
• InChIKey: BPRFDSHQDVLXJA-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 220.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.55
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine (CID 141325334) is 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine.

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

The canonical SMILES for 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine is c1c[nH]c(C2(c3nccs3)ON(c3nn[nH]n3)C(c3cn[nH]n3)(c3ncco3)C2(c2ccn[nH]2)c2ncc[nH]2)c1.

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

The InChIKey is BPRFDSHQDVLXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N15O2S/c1-2-14(23-4-1)22(18-27-9-11-40-18)20(13-3-5-28-30-13,16-24-6-7-25-16)21(15-12-29-34-31-15,17-26-8-10-38-17)37(39-22)19-32-35-36-33-19/h1-12,23H,(H,24,25)(H,28,30)(H,29,31,34)(H,32,33,35,36).

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

4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine has a molecular weight of 555.55 g/mol, XLogP of 1.16, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine is sourced from PubChem (CID 141325334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).