1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride

C17H23Cl2N3O3 — CID 119637637

About 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride (PubChem CID 119637637) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride
• PubChem CID: 119637637
• Molecular Formula: C17H23Cl2N3O3
• Molecular Weight: 388.30 g/mol
• Exact Mass: 387.11
• IUPAC Name: 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride
• SMILES: Cc1oc(-c2ccco2)nc1CC(=O)N1CCC2CCC(C1)N2.Cl.Cl
• InChI: InChI=1S/C17H21N3O3.2ClH/c1-11-14(19-17(23-11)15-3-2-8-22-15)9-16(21)20-7-6-12-4-5-13(10-20)18-12;;/h2-3,8,12-13,18H,4-7,9-10H2,1H3;2*1H
• InChIKey: MDUNUWFJLVKMHT-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 71.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.30
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride?

The IUPAC name of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride (CID 119637637) is 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride.

What is the SMILES notation for 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride?

The canonical SMILES for 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride is Cc1oc(-c2ccco2)nc1CC(=O)N1CCC2CCC(C1)N2.Cl.Cl.

What is the InChIKey of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride?

The InChIKey is MDUNUWFJLVKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.2ClH/c1-11-14(19-17(23-11)15-3-2-8-22-15)9-16(21)20-7-6-12-4-5-13(10-20)18-12;;/h2-3,8,12-13,18H,4-7,9-10H2,1H3;2*1H.

What are the key properties of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride?

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119637637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).