[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride

C17H20Cl2N6O2 — CID 120878699

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride (PubChem CID 120878699) has the molecular formula C17H20Cl2N6O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride.

Molecular Properties

• Compound Name: [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
• PubChem CID: 120878699
• Molecular Formula: C17H20Cl2N6O2
• Molecular Weight: 411.29 g/mol
• Exact Mass: 410.10
• IUPAC Name: [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
• SMILES: Cl.Cl.Cn1ccnc1C1CNCCN1C(=O)c1cc(-c2cccnc2)on1
• InChI: InChI=1S/C17H18N6O2.2ClH/c1-22-7-6-20-16(22)14-11-19-5-8-23(14)17(24)13-9-15(25-21-13)12-3-2-4-18-10-12;;/h2-4,6-7,9-10,14,19H,5,8,11H2,1H3;2*1H
• InChIKey: NVGMMLODCGIXQJ-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 89.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.29
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?

The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride (CID 120878699) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride.

What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?

The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride is Cl.Cl.Cn1ccnc1C1CNCCN1C(=O)c1cc(-c2cccnc2)on1.

What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?

The InChIKey is NVGMMLODCGIXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2.2ClH/c1-22-7-6-20-16(22)14-11-19-5-8-23(14)17(24)13-9-15(25-21-13)12-3-2-4-18-10-12;;/h2-4,6-7,9-10,14,19H,5,8,11H2,1H3;2*1H.

What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride has a molecular weight of 411.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 120878699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).