1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

C21H25N5O2 — CID 120880696

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 120880696) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
• PubChem CID: 120880696
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
• SMILES: Cc1ccc(-c2cnc(CCC(=O)N3CCNCC3c3nccn3C)o2)cc1
• InChI: InChI=1S/C21H25N5O2/c1-15-3-5-16(6-4-15)18-14-24-19(28-18)7-8-20(27)26-12-9-22-13-17(26)21-23-10-11-25(21)2/h3-6,10-11,14,17,22H,7-9,12-13H2,1-2H3
• InChIKey: ZTIGEHXHAUUYEN-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?

The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (CID 120880696) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.

What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?

The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is Cc1ccc(-c2cnc(CCC(=O)N3CCNCC3c3nccn3C)o2)cc1.

What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?

The InChIKey is ZTIGEHXHAUUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-3-5-16(6-4-15)18-14-24-19(28-18)7-8-20(27)26-12-9-22-13-17(26)21-23-10-11-25(21)2/h3-6,10-11,14,17,22H,7-9,12-13H2,1-2H3.

What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 379.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 120880696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).