N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C23H21N3O4S — CID 24503205

About N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 24503205) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 24503205
• Molecular Formula: C23H21N3O4S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.13
• IUPAC Name: N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CCOc1ccc(Oc2ccccc2NC(=O)CCc2nc(-c3cccs3)no2)cc1
• InChI: InChI=1S/C23H21N3O4S/c1-2-28-16-9-11-17(12-10-16)29-19-7-4-3-6-18(19)24-21(27)13-14-22-25-23(26-30-22)20-8-5-15-31-20/h3-12,15H,2,13-14H2,1H3,(H,24,27)
• InChIKey: VBQWPNMRQAVTIE-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 24503205) is N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCOc1ccc(Oc2ccccc2NC(=O)CCc2nc(-c3cccs3)no2)cc1.

What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is VBQWPNMRQAVTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-2-28-16-9-11-17(12-10-16)29-19-7-4-3-6-18(19)24-21(27)13-14-22-25-23(26-30-22)20-8-5-15-31-20/h3-12,15H,2,13-14H2,1H3,(H,24,27).

What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 435.51 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 24503205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).