ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole

C39H74N12O4S — CID 169426511

About ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole

ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole (PubChem CID 169426511) has the molecular formula C39H74N12O4S and a molecular weight of 807.17 g/mol. Its IUPAC name is ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole.

Molecular Properties

• Compound Name: ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole
• PubChem CID: 169426511
• Molecular Formula: C39H74N12O4S
• Molecular Weight: 807.17 g/mol
• Exact Mass: 806.57
• IUPAC Name: ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cocn1.c1cscn1.c1nnco1
• InChI: InChI=1S/C4H4O.2C3H4N2.2C3H3NO.C3H3NS.C2H3N3.C2H2N2O.8C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;8*1-2/h1-4H;2*1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);1-2H;8*1-2H3
• InChIKey: JNNKWWNMLFNPNE-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 215.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.17
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole?

The IUPAC name of ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole (CID 169426511) is ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole.

What is the SMILES notation for ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole?

The canonical SMILES for ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole is CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cocn1.c1cscn1.c1nnco1.

What is the InChIKey of ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole?

The InChIKey is JNNKWWNMLFNPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.2C3H4N2.2C3H3NO.C3H3NS.C2H3N3.C2H2N2O.8C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;8*1-2/h1-4H;2*1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);1-2H;8*1-2H3.

What are the key properties of ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole?

ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole has a molecular weight of 807.17 g/mol, XLogP of 12.68, 0 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole is sourced from PubChem (CID 169426511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).