3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine

C24H18N6O3S2 — CID 141042260

About 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine

3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141042260) has the molecular formula C24H18N6O3S2 and a molecular weight of 502.58 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 141042260
• Molecular Formula: C24H18N6O3S2
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.09
• IUPAC Name: 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1c[nH]c(N2OC(c3ccn[nH]3)C(c3ncco3)(c3cccs3)C2(c2ccco2)c2nccs2)c1
• InChI: InChI=1S/C24H18N6O3S2/c1-6-19(25-8-1)30-24(17-4-2-12-31-17,22-27-11-15-35-22)23(18-5-3-14-34-18,21-26-10-13-32-21)20(33-30)16-7-9-28-29-16/h1-15,20,25H,(H,28,29)
• InChIKey: LGFTUQBMSJAPBV-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 109.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine?

The IUPAC name of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine (CID 141042260) is 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine.

What is the SMILES notation for 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine?

The canonical SMILES for 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine is c1c[nH]c(N2OC(c3ccn[nH]3)C(c3ncco3)(c3cccs3)C2(c2ccco2)c2nccs2)c1.

What is the InChIKey of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine?

The InChIKey is LGFTUQBMSJAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3S2/c1-6-19(25-8-1)30-24(17-4-2-12-31-17,22-27-11-15-35-22)23(18-5-3-14-34-18,21-26-10-13-32-21)20(33-30)16-7-9-28-29-16/h1-15,20,25H,(H,28,29).

What are the key properties of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine?

3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 502.58 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141042260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).