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

C29H20N6O3S3 — CID 141179562

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

3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141179562) has the molecular formula C29H20N6O3S3 and a molecular weight of 596.72 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 141179562
• Molecular Formula: C29H20N6O3S3
• Molecular Weight: 596.72 g/mol
• Exact Mass: 596.08
• IUPAC Name: 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1ccc(C2(c3nccs3)ON(c3cccs3)C(c3ccco3)(c3ncco3)C2(c2ccsn2)c2ccc[nH]2)nc1
• InChI: InChI=1S/C29H20N6O3S3/c1-2-11-31-22(6-1)29(26-33-14-19-40-26)27(20-7-3-12-30-20,21-10-18-41-34-21)28(23-8-4-15-36-23,25-32-13-16-37-25)35(38-29)24-9-5-17-39-24/h1-19,30H
• InChIKey: QUSALFXMHYUQPZ-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 106.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	596.72
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine (CID 141179562) is 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine.

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

The canonical SMILES for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine is c1ccc(C2(c3nccs3)ON(c3cccs3)C(c3ccco3)(c3ncco3)C2(c2ccsn2)c2ccc[nH]2)nc1.

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

The InChIKey is QUSALFXMHYUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N6O3S3/c1-2-11-31-22(6-1)29(26-33-14-19-40-26)27(20-7-3-12-30-20,21-10-18-41-34-21)28(23-8-4-15-36-23,25-32-13-16-37-25)35(38-29)24-9-5-17-39-24/h1-19,30H.

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

3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 596.72 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141179562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).