2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole

C24H22N4O3 — CID 19542141

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole (PubChem CID 19542141) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
• PubChem CID: 19542141
• Molecular Formula: C24H22N4O3
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.17
• IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
• SMILES: Cc1cc(C)n(CCc2nnc(-c3ccc(COc4cccc5ccccc45)o3)o2)n1
• InChI: InChI=1S/C24H22N4O3/c1-16-14-17(2)28(27-16)13-12-23-25-26-24(31-23)22-11-10-19(30-22)15-29-21-9-5-7-18-6-3-4-8-20(18)21/h3-11,14H,12-13,15H2,1-2H3
• InChIKey: XZEFYRSAYJIGGN-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 79.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole (CID 19542141) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole is Cc1cc(C)n(CCc2nnc(-c3ccc(COc4cccc5ccccc45)o3)o2)n1.

What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?

The InChIKey is XZEFYRSAYJIGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-14-17(2)28(27-16)13-12-23-25-26-24(31-23)22-11-10-19(30-22)15-29-21-9-5-7-18-6-3-4-8-20(18)21/h3-11,14H,12-13,15H2,1-2H3.

What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole has a molecular weight of 414.47 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19542141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).