furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole

C43H47N17O4 — CID 162062940

About furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole

furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole (PubChem CID 162062940) has the molecular formula C43H47N17O4 and a molecular weight of 865.96 g/mol. Its IUPAC name is furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole.

Molecular Properties

• Compound Name: furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
• PubChem CID: 162062940
• Molecular Formula: C43H47N17O4
• Molecular Weight: 865.96 g/mol
• Exact Mass: 865.40
• IUPAC Name: furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
• SMILES: c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1nnco1
• InChI: InChI=1S/2C5H5N.2C4H4N2.C4H5N.C4H4O.3C3H4N2.2C3H3NO.C2H2N2O/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h2*1-5H;2*1-4H;1-5H;1-4H;3*1-3H,(H,4,5);2*1-3H;1-2H
• InChIKey: ZABUAQSOWWGQJF-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 283.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.96
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?

The IUPAC name of furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole (CID 162062940) is furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole.

What is the SMILES notation for furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?

The canonical SMILES for furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole is c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1nnco1.

What is the InChIKey of furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?

The InChIKey is ZABUAQSOWWGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2C4H4N2.C4H5N.C4H4O.3C3H4N2.2C3H3NO.C2H2N2O/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h2*1-5H;2*1-4H;1-5H;1-4H;3*1-3H,(H,4,5);2*1-3H;1-2H.

What are the key properties of furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?

furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole has a molecular weight of 865.96 g/mol, XLogP of 8.06, 0 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole is sourced from PubChem (CID 162062940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).