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

C25H18N10O3S2 — CID 141146974

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

4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine (PubChem CID 141146974) has the molecular formula C25H18N10O3S2 and a molecular weight of 570.62 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine.

Molecular Properties

• Compound Name: 4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
• PubChem CID: 141146974
• Molecular Formula: C25H18N10O3S2
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.10
• IUPAC Name: 4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
• SMILES: c1c[nH]c(C2(c3ccsn3)ON(c3nccs3)N(c3ccn[nH]3)C2(c2ncc[nH]2)c2nc(-c3ccco3)co2)c1
• InChI: InChI=1S/C25H18N10O3S2/c1-4-18(26-7-1)25(19-6-13-40-33-19)24(21-27-9-10-28-21,22-31-16(15-37-22)17-3-2-12-36-17)34(20-5-8-30-32-20)35(38-25)23-29-11-14-39-23/h1-15,26H,(H,27,28)(H,30,32)
• InChIKey: WJMZRTZVODYPDT-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 153.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine (CID 141146974) is 4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine.

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

The canonical SMILES for 4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine is c1c[nH]c(C2(c3ccsn3)ON(c3nccs3)N(c3ccn[nH]3)C2(c2ncc[nH]2)c2nc(-c3ccco3)co2)c1.

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

The InChIKey is WJMZRTZVODYPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N10O3S2/c1-4-18(26-7-1)25(19-6-13-40-33-19)24(21-27-9-10-28-21,22-31-16(15-37-22)17-3-2-12-36-17)34(20-5-8-30-32-20)35(38-25)23-29-11-14-39-23/h1-15,26H,(H,27,28)(H,30,32).

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

4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine has a molecular weight of 570.62 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine is sourced from PubChem (CID 141146974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).