1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate

C23H19BrN2O4 — CID 55392327

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate (PubChem CID 55392327) has the molecular formula C23H19BrN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate.

Molecular Properties

• Compound Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate
• PubChem CID: 55392327
• Molecular Formula: C23H19BrN2O4
• Molecular Weight: 467.32 g/mol
• Exact Mass: 466.05
• IUPAC Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate
• SMILES: Cc1ccc(-c2nnc(C(C)OC(=O)COc3ccc4ccccc4c3Br)o2)cc1
• InChI: InChI=1S/C23H19BrN2O4/c1-14-7-9-17(10-8-14)23-26-25-22(30-23)15(2)29-20(27)13-28-19-12-11-16-5-3-4-6-18(16)21(19)24/h3-12,15H,13H2,1-2H3
• InChIKey: RQDIVHZNBVQSLD-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 74.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.32
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate?

The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate (CID 55392327) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate.

What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate?

The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate is Cc1ccc(-c2nnc(C(C)OC(=O)COc3ccc4ccccc4c3Br)o2)cc1.

What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate?

The InChIKey is RQDIVHZNBVQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O4/c1-14-7-9-17(10-8-14)23-26-25-22(30-23)15(2)29-20(27)13-28-19-12-11-16-5-3-4-6-18(16)21(19)24/h3-12,15H,13H2,1-2H3.

What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate?

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate has a molecular weight of 467.32 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate is sourced from PubChem (CID 55392327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).