N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H32N4O2 — CID 55535788

About N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55535788) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 55535788
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CC(C)c1ccc(-c2noc(CCC(=O)NCC(Nc3ccccc3)C(C)C)n2)cc1
• InChI: InChI=1S/C25H32N4O2/c1-17(2)19-10-12-20(13-11-19)25-28-24(31-29-25)15-14-23(30)26-16-22(18(3)4)27-21-8-6-5-7-9-21/h5-13,17-18,22,27H,14-16H2,1-4H3,(H,26,30)
• InChIKey: ZEGXAIKYNOWZTI-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55535788) is N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)NCC(Nc3ccccc3)C(C)C)n2)cc1.

What is the InChIKey of N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is ZEGXAIKYNOWZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17(2)19-10-12-20(13-11-19)25-28-24(31-29-25)15-14-23(30)26-16-22(18(3)4)27-21-8-6-5-7-9-21/h5-13,17-18,22,27H,14-16H2,1-4H3,(H,26,30).

What are the key properties of N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 420.56 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55535788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).