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

C24H25N5O — CID 23644872

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

N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644872) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 23644872
• Molecular Formula: C24H25N5O
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.21
• IUPAC Name: N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• SMILES: CC(C)(C)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1
• InChI: InChI=1S/C24H25N5O/c1-24(2,3)18-7-9-19(10-8-18)27-23-29-28-22(30-23)20-5-4-14-26-21(20)11-6-17-12-15-25-16-13-17/h4-5,7-10,12-16H,6,11H2,1-3H3,(H,27,29)
• InChIKey: BXWMSEULKYSGMV-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 23644872) is N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

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

The canonical SMILES for N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1.

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

The InChIKey is BXWMSEULKYSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-24(2,3)18-7-9-19(10-8-18)27-23-29-28-22(30-23)20-5-4-14-26-21(20)11-6-17-12-15-25-16-13-17/h4-5,7-10,12-16H,6,11H2,1-3H3,(H,27,29).

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

N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 399.50 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).