2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine

C20H15N11O2S2 — CID 141129879

About 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine

2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine (PubChem CID 141129879) has the molecular formula C20H15N11O2S2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine.

Molecular Properties

• Compound Name: 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine
• PubChem CID: 141129879
• Molecular Formula: C20H15N11O2S2
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.09
• IUPAC Name: 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine
• SMILES: c1c[nH]c(C2(c3ccn[nH]3)ON(c3ncc[nH]3)C(c3conn3)(c3ccsn3)N2c2nccs2)c1
• InChI: InChI=1S/C20H15N11O2S2/c1-2-14(21-5-1)20(15-3-6-25-26-15)30(18-24-9-11-34-18)19(13-4-10-35-28-13,16-12-32-29-27-16)31(33-20)17-22-7-8-23-17/h1-12,21H,(H,22,23)(H,25,26)
• InChIKey: IQBDRPPZRJRHDD-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 153.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine?

The IUPAC name of 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine (CID 141129879) is 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine.

What is the SMILES notation for 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine?

The canonical SMILES for 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine is c1c[nH]c(C2(c3ccn[nH]3)ON(c3ncc[nH]3)C(c3conn3)(c3ccsn3)N2c2nccs2)c1.

What is the InChIKey of 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine?

The InChIKey is IQBDRPPZRJRHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N11O2S2/c1-2-14(21-5-1)20(15-3-6-25-26-15)30(18-24-9-11-34-18)19(13-4-10-35-28-13,16-12-32-29-27-16)31(33-20)17-22-7-8-23-17/h1-12,21H,(H,22,23)(H,25,26).

What are the key properties of 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine?

2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine has a molecular weight of 505.55 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-imidazol-2-yl)-3-(oxadiazol-4-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,4-oxadiazolidine is sourced from PubChem (CID 141129879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).