Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole

C₃₄H₃₈N₁₆O₃ — CID 159207622

About Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole

Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole (PubChem CID 159207622) has the molecular formula C₃₄H₃₈N₁₆O₃ and a molecular weight of 718.79 g/mol. Its IUPAC name is benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole
• PubChem CID: 159207622
• Molecular Formula: C₃₄H₃₈N₁₆O₃
• Molecular Weight: 718.79 g/mol
• Exact Mass: 718.33
• IUPAC Name: benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole
• SMILES: c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1
• InChI: InChI=1S/C6H6.C5H5N.C4H4N2.C4H4O.2C3H4N2.2C3H3NO.C2H3N3.CH2N4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-6H;1-5H;1-4H;1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,(H,2,3,4,5)
• InChIKey: KQBUACPTVNEBHE-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 257.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	718.79
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole?

The IUPAC name of Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole (CID 159207622) is benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole.

What is the SMILES notation for Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole?

The canonical SMILES for Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole is c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1.

What is the InChIKey of Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole?

The InChIKey is KQBUACPTVNEBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.C4H4N2.C4H4O.2C3H4N2.2C3H3NO.C2H3N3.CH2N4/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-6H;1-5H;1-4H;1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,(H,2,3,4,5).

What are the key properties of Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole?

Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole has a molecular weight of 718.79 g/mol, XLogP of 5.70, 0 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole is sourced from PubChem (CID 159207622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159207622 — identifiers, structure, computed properties (public domain)

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