N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

C22H24N4O5 — CID 121097779

About N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (PubChem CID 121097779) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
• PubChem CID: 121097779
• Molecular Formula: C22H24N4O5
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.17
• IUPAC Name: N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
• SMILES: COc1ccc(NC(=O)N2CC(c3nc(Cc4ccccc4OC)no3)C2)c(OC)c1
• InChI: InChI=1S/C22H24N4O5/c1-28-16-8-9-17(19(11-16)30-3)23-22(27)26-12-15(13-26)21-24-20(25-31-21)10-14-6-4-5-7-18(14)29-2/h4-9,11,15H,10,12-13H2,1-3H3,(H,23,27)
• InChIKey: BGLVYXMEFNRSLR-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 98.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (CID 121097779) is N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.

What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is COc1ccc(NC(=O)N2CC(c3nc(Cc4ccccc4OC)no3)C2)c(OC)c1.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

The InChIKey is BGLVYXMEFNRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-28-16-8-9-17(19(11-16)30-3)23-22(27)26-12-15(13-26)21-24-20(25-31-21)10-14-6-4-5-7-18(14)29-2/h4-9,11,15H,10,12-13H2,1-3H3,(H,23,27).

What are the key properties of N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?

N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is sourced from PubChem (CID 121097779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).