1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone

C86H94N18O18S3 — CID 163991197

About 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone

1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone (PubChem CID 163991197) has the molecular formula C86H94N18O18S3 and a molecular weight of 1764.01 g/mol. Its IUPAC name is 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone.

Molecular Properties

• Compound Name: 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone
• PubChem CID: 163991197
• Molecular Formula: C86H94N18O18S3
• Molecular Weight: 1764.01 g/mol
• Exact Mass: 1762.62
• IUPAC Name: 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone
• SMILES: CC(=O)C1=CCN=C1.CC(=O)C1=CCN=C1.CC(=O)C1=NCC=C1.CC(=O)C1=NCC=N1.CC(=O)c1ccccn1.CC(=O)c1cccnn1.CC(=O)c1cccs1.CC(=O)c1ccno1.CC(=O)c1ccns1.CC(=O)c1cnc[nH]1.CC(=O)c1cnc[nH]1.CC(=O)c1cocn1.CC(=O)c1ncccn1.CC(=O)c1nccs1.CC(=O)c1oc(C)cc1C
• InChI: InChI=1S/C8H10O2.C7H7NO.2C6H6N2O.3C6H7NO.C6H6OS.3C5H6N2O.2C5H5NO2.2C5H5NOS/c1-5-4-6(2)10-8(5)7(3)9;1-6(9)7-4-2-3-5-8-7;1-5(9)6-7-3-2-4-8-6;1-5(9)6-3-2-4-7-8-6;2*1-5(8)6-2-3-7-4-6;1-5(8)6-3-2-4-7-6;1-5(7)6-3-2-4-8-6;2*1-4(8)5-2-6-3-7-5;1-4(8)5-6-2-3-7-5;1-4(7)5-2-8-3-6-5;1-4(7)5-2-3-6-8-5;1-4(7)5-6-2-3-8-5;1-4(7)5-2-3-6-8-5/h4H,1-3H3;2-5H,1H3;2*2-4H,1H3;2*2,4H,3H2,1H3;2-3H,4H2,1H3;2-4H,1H3;2*2-3H,1H3,(H,6,7);2H,3H2,1H3;4*2-3H,1H3
• InChIKey: UATPVNOQVKMFII-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 530.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1764.01
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone?

The IUPAC name of 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone (CID 163991197) is 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone.

What is the SMILES notation for 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone?

The canonical SMILES for 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone is CC(=O)C1=CCN=C1.CC(=O)C1=CCN=C1.CC(=O)C1=NCC=C1.CC(=O)C1=NCC=N1.CC(=O)c1ccccn1.CC(=O)c1cccnn1.CC(=O)c1cccs1.CC(=O)c1ccno1.CC(=O)c1ccns1.CC(=O)c1cnc[nH]1.CC(=O)c1cnc[nH]1.CC(=O)c1cocn1.CC(=O)c1ncccn1.CC(=O)c1nccs1.CC(=O)c1oc(C)cc1C.

What is the InChIKey of 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone?

The InChIKey is UATPVNOQVKMFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H7NO.2C6H6N2O.3C6H7NO.C6H6OS.3C5H6N2O.2C5H5NO2.2C5H5NOS/c1-5-4-6(2)10-8(5)7(3)9;1-6(9)7-4-2-3-5-8-7;1-5(9)6-7-3-2-4-8-6;1-5(9)6-3-2-4-7-8-6;2*1-5(8)6-2-3-7-4-6;1-5(8)6-3-2-4-7-6;1-5(7)6-3-2-4-8-6;2*1-4(8)5-2-6-3-7-5;1-4(8)5-6-2-3-7-5;1-4(7)5-2-8-3-6-5;1-4(7)5-2-3-6-8-5;1-4(7)5-6-2-3-8-5;1-4(7)5-2-3-6-8-5/h4H,1-3H3;2-5H,1H3;2*2-4H,1H3;2*2,4H,3H2,1H3;2-3H,4H2,1H3;2-4H,1H3;2*2-3H,1H3,(H,6,7);2H,3H2,1H3;4*2-3H,1H3.

What are the key properties of 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone?

1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone has a molecular weight of 1764.01 g/mol, XLogP of 14.18, 15 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethylfuran-2-yl)ethanone;bis(1-(1H-imidazol-5-yl)ethanone);1-(4H-imidazol-2-yl)ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-pyridazin-3-ylethanone;1-pyridin-2-ylethanone;1-pyrimidin-2-ylethanone;bis(1-(2H-pyrrol-4-yl)ethanone);1-(2H-pyrrol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethanone;1-(1,3-thiazol-2-yl)ethanone;1-thiophen-2-ylethanone is sourced from PubChem (CID 163991197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).