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

C24H25N5O — CID 23644875

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

N-(4-tert-butylphenyl)-5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644875) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 23644875
• Molecular Formula: C24H25N5O
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.21
• IUPAC Name: N-(4-tert-butylphenyl)-5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• SMILES: CC(C)(C)c1ccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)cc1
• InChI: InChI=1S/C24H25N5O/c1-24(2,3)19-6-8-20(9-7-19)27-23-29-28-22(30-23)21-16-26-15-12-18(21)5-4-17-10-13-25-14-11-17/h6-16H,4-5H2,1-3H3,(H,27,29)
• InChIKey: HDRMGLRNWDMPGT-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-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of N-(4-tert-butylphenyl)-5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 23644875) is N-(4-tert-butylphenyl)-5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

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

The canonical SMILES for N-(4-tert-butylphenyl)-5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)c1ccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)cc1.

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

The InChIKey is HDRMGLRNWDMPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-24(2,3)19-6-8-20(9-7-19)27-23-29-28-22(30-23)21-16-26-15-12-18(21)5-4-17-10-13-25-14-11-17/h6-16H,4-5H2,1-3H3,(H,27,29).

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

N-(4-tert-butylphenyl)-5-[4-(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-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).