furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

C26H25N3O3 — CID 25382829

About furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 25382829) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
• PubChem CID: 25382829
• Molecular Formula: C26H25N3O3
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.19
• IUPAC Name: furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
• SMILES: Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C26H25N3O3/c1-19-23(18-28-13-15-29(16-14-28)26(30)24-8-5-17-31-24)27-25(32-19)22-11-9-21(10-12-22)20-6-3-2-4-7-20/h2-12,17H,13-16,18H2,1H3
• InChIKey: KSEKEUWKXHUFRJ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 62.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?

The IUPAC name of furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (CID 25382829) is furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(C(=O)c2ccco2)CC1.

What is the InChIKey of furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?

The InChIKey is KSEKEUWKXHUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-19-23(18-28-13-15-29(16-14-28)26(30)24-8-5-17-31-24)27-25(32-19)22-11-9-21(10-12-22)20-6-3-2-4-7-20/h2-12,17H,13-16,18H2,1H3.

What are the key properties of furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?

furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 427.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 25382829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).