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

C20H14N10O3S2 — CID 141213934

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

4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine (PubChem CID 141213934) has the molecular formula C20H14N10O3S2 and a molecular weight of 506.53 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine.

Molecular Properties

• Compound Name: 4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine
• PubChem CID: 141213934
• Molecular Formula: C20H14N10O3S2
• Molecular Weight: 506.53 g/mol
• Exact Mass: 506.07
• IUPAC Name: 4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine
• SMILES: c1cc(C2(c3ncco3)ON(c3ccsn3)N(c3nccs3)C2(c2ccon2)c2ncc[nH]2)[nH]n1
• InChI: InChI=1S/C20H14N10O3S2/c1-4-25-26-14(1)20(17-23-7-10-31-17)19(13-2-9-32-27-13,16-21-5-6-22-16)29(18-24-8-12-34-18)30(33-20)15-3-11-35-28-15/h1-12H,(H,21,22)(H,25,26)
• InChIKey: GGOLABLGDPSVHW-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 150.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.53
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine (CID 141213934) is 4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine.

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

The canonical SMILES for 4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine is c1cc(C2(c3ncco3)ON(c3ccsn3)N(c3nccs3)C2(c2ccon2)c2ncc[nH]2)[nH]n1.

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

The InChIKey is GGOLABLGDPSVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N10O3S2/c1-4-25-26-14(1)20(17-23-7-10-31-17)19(13-2-9-32-27-13,16-21-5-6-22-16)29(18-24-8-12-34-18)30(33-20)15-3-11-35-28-15/h1-12H,(H,21,22)(H,25,26).

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

4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine has a molecular weight of 506.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)oxadiazolidine is sourced from PubChem (CID 141213934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).