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

C24H17N11O3S2 — CID 141123637

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

3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine (PubChem CID 141123637) has the molecular formula C24H17N11O3S2 and a molecular weight of 571.61 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine.

Molecular Properties

• Compound Name: 3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine
• PubChem CID: 141123637
• Molecular Formula: C24H17N11O3S2
• Molecular Weight: 571.61 g/mol
• Exact Mass: 571.10
• IUPAC Name: 3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine
• SMILES: c1c[nH]c(-c2csnc2C2(c3nccs3)N(c3ncc[nH]3)N(c3ccn[nH]3)OC2(c2ccon2)c2ncco2)c1
• InChI: InChI=1S/C24H17N11O3S2/c1-2-16(25-5-1)15-14-40-33-19(15)23(21-27-10-13-39-21)24(17-4-11-37-32-17,20-26-9-12-36-20)38-35(18-3-6-30-31-18)34(23)22-28-7-8-29-22/h1-14,25H,(H,28,29)(H,30,31)
• InChIKey: OTIURUAFOBBNHR-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 166.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.61
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine (CID 141123637) is 3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine.

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

The canonical SMILES for 3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine is c1c[nH]c(-c2csnc2C2(c3nccs3)N(c3ncc[nH]3)N(c3ccn[nH]3)OC2(c2ccon2)c2ncco2)c1.

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

The InChIKey is OTIURUAFOBBNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N11O3S2/c1-2-16(25-5-1)15-14-40-33-19(15)23(21-27-10-13-39-21)24(17-4-11-37-32-17,20-26-9-12-36-20)38-35(18-3-6-30-31-18)34(23)22-28-7-8-29-22/h1-14,25H,(H,28,29)(H,30,31).

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

3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine has a molecular weight of 571.61 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine is sourced from PubChem (CID 141123637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).