N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C26H21N5O — CID 23644897

About N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644897) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 23644897
• Molecular Formula: C26H21N5O
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.17
• IUPAC Name: N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• SMILES: c1ccc(-c2ccc(Nc3nnc(-c4cccnc4CCc4ccncc4)o3)cc2)cc1
• InChI: InChI=1S/C26H21N5O/c1-2-5-20(6-3-1)21-9-11-22(12-10-21)29-26-31-30-25(32-26)23-7-4-16-28-24(23)13-8-19-14-17-27-18-15-19/h1-7,9-12,14-18H,8,13H2,(H,29,31)
• InChIKey: GDJZHZRQVOQRIL-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 23644897) is N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is c1ccc(-c2ccc(Nc3nnc(-c4cccnc4CCc4ccncc4)o3)cc2)cc1.

What is the InChIKey of N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is GDJZHZRQVOQRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-2-5-20(6-3-1)21-9-11-22(12-10-21)29-26-31-30-25(32-26)23-7-4-16-28-24(23)13-8-19-14-17-27-18-15-19/h1-7,9-12,14-18H,8,13H2,(H,29,31).

What are the key properties of N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?

N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 419.49 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).