N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H32N4O2S — CID 55660215

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55660215) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 55660215
• Molecular Formula: C24H32N4O2S
• Molecular Weight: 440.61 g/mol
• Exact Mass: 440.22
• IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CCN(CC)C(CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccsc1
• InChI: InChI=1S/C24H32N4O2S/c1-5-28(6-2)21(20-13-14-31-16-20)15-25-22(29)11-12-23-26-24(27-30-23)19-9-7-18(8-10-19)17(3)4/h7-10,13-14,16-17,21H,5-6,11-12,15H2,1-4H3,(H,25,29)
• InChIKey: VANVDWSHVMRGCW-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.61
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55660215) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

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

The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(CC)C(CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccsc1.

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

The InChIKey is VANVDWSHVMRGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-5-28(6-2)21(20-13-14-31-16-20)15-25-22(29)11-12-23-26-24(27-30-23)19-9-7-18(8-10-19)17(3)4/h7-10,13-14,16-17,21H,5-6,11-12,15H2,1-4H3,(H,25,29).

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

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 440.61 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55660215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).