N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H20Cl2N4O4 — CID 112831228

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 112831228) has the molecular formula C24H20Cl2N4O4 and a molecular weight of 499.35 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 112831228
• Molecular Formula: C24H20Cl2N4O4
• Molecular Weight: 499.35 g/mol
• Exact Mass: 498.09
• IUPAC Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)n2)cc1
• InChI: InChI=1S/C24H20Cl2N4O4/c1-2-32-17-9-7-15(8-10-17)23-29-22(34-30-23)12-11-21(31)28-19-5-3-4-6-20(19)33-24-18(26)13-16(25)14-27-24/h3-10,13-14H,2,11-12H2,1H3,(H,28,31)
• InChIKey: AKGVCPIJIUDHKT-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.35
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 112831228) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)n2)cc1.

What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is AKGVCPIJIUDHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4/c1-2-32-17-9-7-15(8-10-17)23-29-22(34-30-23)12-11-21(31)28-19-5-3-4-6-20(19)33-24-18(26)13-16(25)14-27-24/h3-10,13-14H,2,11-12H2,1H3,(H,28,31).

What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 499.35 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 112831228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).