3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine

C39H27N5O3S2 — CID 141279411

About 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine

3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141279411) has the molecular formula C39H27N5O3S2 and a molecular weight of 677.81 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 141279411
• Molecular Formula: C39H27N5O3S2
• Molecular Weight: 677.81 g/mol
• Exact Mass: 677.16
• IUPAC Name: 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1ccc(-c2ccccc2C2(c3csnn3)C(c3ccccc3)(c3cccs3)ON(c3ccccn3)C2(c2ccco2)c2ncco2)cc1
• InChI: InChI=1S/C39H27N5O3S2/c1-3-13-28(14-4-1)30-17-7-8-18-31(30)37(32-27-49-43-42-32)38(33-19-11-24-45-33,36-41-23-25-46-36)44(35-21-9-10-22-40-35)47-39(37,34-20-12-26-48-34)29-15-5-2-6-16-29/h1-27H
• InChIKey: DPARSDODHKVAIX-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 90.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.81
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine?

The IUPAC name of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine (CID 141279411) is 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine.

What is the SMILES notation for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine?

The canonical SMILES for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine is c1ccc(-c2ccccc2C2(c3csnn3)C(c3ccccc3)(c3cccs3)ON(c3ccccn3)C2(c2ccco2)c2ncco2)cc1.

What is the InChIKey of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine?

The InChIKey is DPARSDODHKVAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N5O3S2/c1-3-13-28(14-4-1)30-17-7-8-18-31(30)37(32-27-49-43-42-32)38(33-19-11-24-45-33,36-41-23-25-46-36)44(35-21-9-10-22-40-35)47-39(37,34-20-12-26-48-34)29-15-5-2-6-16-29/h1-27H.

What are the key properties of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine?

3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 677.81 g/mol, XLogP of 8.87, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-4-(2-phenylphenyl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141279411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).