4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine

C20H15N9O5S — CID 141192615

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

4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine (PubChem CID 141192615) has the molecular formula C20H15N9O5S and a molecular weight of 493.47 g/mol. Its IUPAC name is 4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine.

Molecular Properties

• Compound Name: 4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine
• PubChem CID: 141192615
• Molecular Formula: C20H15N9O5S
• Molecular Weight: 493.47 g/mol
• Exact Mass: 493.09
• IUPAC Name: 4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine
• SMILES: C1=COC(C2(c3ccon3)N(c3nccs3)N(c3ncco3)OC2(c2ccn[nH]2)c2ncc[nH]2)O1
• InChI: InChI=1S/C20H15N9O5S/c1-3-25-26-14(1)20(15-21-4-5-22-15)19(13-2-8-33-27-13,16-30-10-11-31-16)28(18-24-7-12-35-18)29(34-20)17-23-6-9-32-17/h1-12,16H,(H,21,22)(H,25,26)
• InChIKey: XJJPLFYKNJTNNY-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 156.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.47
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine (CID 141192615) is 4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine.

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

The canonical SMILES for 4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine is C1=COC(C2(c3ccon3)N(c3nccs3)N(c3ncco3)OC2(c2ccn[nH]2)c2ncc[nH]2)O1.

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

The InChIKey is XJJPLFYKNJTNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N9O5S/c1-3-25-26-14(1)20(15-21-4-5-22-15)19(13-2-8-33-27-13,16-30-10-11-31-16)28(18-24-7-12-35-18)29(34-20)17-23-6-9-32-17/h1-12,16H,(H,21,22)(H,25,26).

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

4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine has a molecular weight of 493.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dioxol-2-yl)-5-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine is sourced from PubChem (CID 141192615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).