[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate

C21H23N3O5 — CID 55553176

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 55553176) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

• Compound Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
• PubChem CID: 55553176
• Molecular Formula: C21H23N3O5
• Molecular Weight: 397.43 g/mol
• Exact Mass: 397.16
• IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
• SMILES: CC(C)N(Cc1ccccc1)C(=O)COC(=O)CCc1nc(-c2ccco2)no1
• InChI: InChI=1S/C21H23N3O5/c1-15(2)24(13-16-7-4-3-5-8-16)19(25)14-28-20(26)11-10-18-22-21(23-29-18)17-9-6-12-27-17/h3-9,12,15H,10-11,13-14H2,1-2H3
• InChIKey: XJNZGCYMXJFGAE-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 98.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.43
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?

The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (CID 55553176) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.

What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?

The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)CCc1nc(-c2ccco2)no1.

What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?

The InChIKey is XJNZGCYMXJFGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-15(2)24(13-16-7-4-3-5-8-16)19(25)14-28-20(26)11-10-18-22-21(23-29-18)17-9-6-12-27-17/h3-9,12,15H,10-11,13-14H2,1-2H3.

What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 397.43 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 55553176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).