N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C24H27FN2O4 — CID 43067897

About N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 43067897) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 43067897
• Molecular Formula: C24H27FN2O4
• Molecular Weight: 426.49 g/mol
• Exact Mass: 426.20
• IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CCOc1ccc(C(C)NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1OCC
• InChI: InChI=1S/C24H27FN2O4/c1-4-29-20-11-10-17(14-21(20)30-5-2)16(3)27-23(28)12-13-24-26-15-22(31-24)18-8-6-7-9-19(18)25/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,27,28)
• InChIKey: HSSHDNFFGDSWGS-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.49
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 43067897) is N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CCOc1ccc(C(C)NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1OCC.

What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is HSSHDNFFGDSWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-4-29-20-11-10-17(14-21(20)30-5-2)16(3)27-23(28)12-13-24-26-15-22(31-24)18-8-6-7-9-19(18)25/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,27,28).

What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 426.49 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 43067897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).