Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole

C₃₁H₄₅N₉O₃ — CID 159141847

About Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole

Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole (PubChem CID 159141847) has the molecular formula C₃₁H₄₅N₉O₃ and a molecular weight of 591.76 g/mol. Its IUPAC name is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole.

Molecular Properties

• Compound Name: Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole
• PubChem CID: 159141847
• Molecular Formula: C₃₁H₄₅N₉O₃
• Molecular Weight: 591.76 g/mol
• Exact Mass: 591.36
• IUPAC Name: furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole
• SMILES: C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1cocn1.c1cocn1
• InChI: InChI=1S/3C4H5N.C4H4O.2C3H4N2.2C3H3NO.3CH4/c4*1-2-4-5-3-1;4*1-2-5-3-4-1;;;/h1,3-4H,2H2;2*1-5H;1-4H;2*1-3H,(H,4,5);2*1-3H;3*1H4
• InChIKey: KIELJBZPQMGGDD-UHFFFAOYSA-N
• XLogP: 8.36
• TPSA: 166.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.76
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?

The IUPAC name of Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole (CID 159141847) is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole.

What is the SMILES notation for Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?

The canonical SMILES for Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole is C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1cocn1.c1cocn1.

What is the InChIKey of Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?

The InChIKey is KIELJBZPQMGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H5N.C4H4O.2C3H4N2.2C3H3NO.3CH4/c4*1-2-4-5-3-1;4*1-2-5-3-4-1;;;/h1,3-4H,2H2;2*1-5H;1-4H;2*1-3H,(H,4,5);2*1-3H;3*1H4.

What are the key properties of Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?

Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole has a molecular weight of 591.76 g/mol, XLogP of 8.36, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole is sourced from PubChem (CID 159141847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159141847 — identifiers, structure, computed properties (public domain)

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