1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

C20H22F2N4O4 — CID 56544319

About 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56544319) has the molecular formula C20H22F2N4O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
• PubChem CID: 56544319
• Molecular Formula: C20H22F2N4O4
• Molecular Weight: 420.42 g/mol
• Exact Mass: 420.16
• IUPAC Name: 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
• SMILES: CNC(=O)C1CCCN1C(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
• InChI: InChI=1S/C20H22F2N4O4/c1-23-20(29)15-3-2-8-26(15)19(28)11-24-17(27)6-7-18-25-10-16(30-18)13-5-4-12(21)9-14(13)22/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,23,29)(H,24,27)
• InChIKey: YKVLBIJZCJHHAZ-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.42
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 56544319) is 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1.

What is the InChIKey of 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?

The InChIKey is YKVLBIJZCJHHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4/c1-23-20(29)15-3-2-8-26(15)19(28)11-24-17(27)6-7-18-25-10-16(30-18)13-5-4-12(21)9-14(13)22/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,23,29)(H,24,27).

What are the key properties of 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide?

1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56544319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).