N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H23N3O4 — CID 78868669

About N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 78868669) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 78868669
• Molecular Formula: C20H23N3O4
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.17
• IUPAC Name: N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CC(C)c1ccc(-c2noc(CCC(=O)NCC(O)c3ccco3)n2)cc1
• InChI: InChI=1S/C20H23N3O4/c1-13(2)14-5-7-15(8-6-14)20-22-19(27-23-20)10-9-18(25)21-12-16(24)17-4-3-11-26-17/h3-8,11,13,16,24H,9-10,12H2,1-2H3,(H,21,25)
• InChIKey: KQZNCWCJLUDSIA-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 101.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 78868669) is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)NCC(O)c3ccco3)n2)cc1.

What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is KQZNCWCJLUDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)14-5-7-15(8-6-14)20-22-19(27-23-20)10-9-18(25)21-12-16(24)17-4-3-11-26-17/h3-8,11,13,16,24H,9-10,12H2,1-2H3,(H,21,25).

What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 369.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 78868669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).