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

C23H22N4O3S — CID 55901614

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

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55901614) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55901614
• Molecular Formula: C23H22N4O3S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.14
• IUPAC Name: N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CC(NC(=O)CCc1nc(-c2cccs2)no1)c1cccc(OCc2ccccn2)c1
• InChI: InChI=1S/C23H22N4O3S/c1-16(17-6-4-8-19(14-17)29-15-18-7-2-3-12-24-18)25-21(28)10-11-22-26-23(27-30-22)20-9-5-13-31-20/h2-9,12-14,16H,10-11,15H2,1H3,(H,25,28)
• InChIKey: LTWMIJHVJBZCAI-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55901614) is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

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

The canonical SMILES for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(NC(=O)CCc1nc(-c2cccs2)no1)c1cccc(OCc2ccccn2)c1.

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

The InChIKey is LTWMIJHVJBZCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-16(17-6-4-8-19(14-17)29-15-18-7-2-3-12-24-18)25-21(28)10-11-22-26-23(27-30-22)20-9-5-13-31-20/h2-9,12-14,16H,10-11,15H2,1H3,(H,25,28).

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

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 434.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).