4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole

C31H19N7O3S2 — CID 136502515

About 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole

4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole (PubChem CID 136502515) has the molecular formula C31H19N7O3S2 and a molecular weight of 601.67 g/mol. Its IUPAC name is 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
• PubChem CID: 136502515
• Molecular Formula: C31H19N7O3S2
• Molecular Weight: 601.67 g/mol
• Exact Mass: 601.10
• IUPAC Name: 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
• SMILES: c1ccc(-c2cc[nH]c2-c2coc(-c3cnc(-c4oncc4-c4nccs4)[nH]3)n2)c(Sc2occc2-c2ccncc2)c1
• InChI: InChI=1S/C31H19N7O3S2/c1-2-4-25(43-31-19(8-13-39-31)18-5-9-32-10-6-18)20(3-1)21-7-11-33-26(21)24-17-40-29(38-24)23-16-35-28(37-23)27-22(15-36-41-27)30-34-12-14-42-30/h1-17,33H,(H,35,37)
• InChIKey: ORZTYNZVTXQHKD-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 135.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.67
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole (CID 136502515) is 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole.

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

The canonical SMILES for 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole is c1ccc(-c2cc[nH]c2-c2coc(-c3cnc(-c4oncc4-c4nccs4)[nH]3)n2)c(Sc2occc2-c2ccncc2)c1.

What is the InChIKey of 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole?

The InChIKey is ORZTYNZVTXQHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N7O3S2/c1-2-4-25(43-31-19(8-13-39-31)18-5-9-32-10-6-18)20(3-1)21-7-11-33-26(21)24-17-40-29(38-24)23-16-35-28(37-23)27-22(15-36-41-27)30-34-12-14-42-30/h1-17,33H,(H,35,37).

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

4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole has a molecular weight of 601.67 g/mol, XLogP of 8.31, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 136502515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).