3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C24H26FN3O2 — CID 35437793

About 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 35437793) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
• PubChem CID: 35437793
• Molecular Formula: C24H26FN3O2
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.20
• IUPAC Name: 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
• SMILES: CN(Cc1ccccc1N1CCCC1)C(=O)CCc1ncc(-c2ccc(F)cc2)o1
• InChI: InChI=1S/C24H26FN3O2/c1-27(17-19-6-2-3-7-21(19)28-14-4-5-15-28)24(29)13-12-23-26-16-22(30-23)18-8-10-20(25)11-9-18/h2-3,6-11,16H,4-5,12-15,17H2,1H3
• InChIKey: NLCQOOHWHHJRHZ-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 49.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 35437793) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

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

The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCCC1)C(=O)CCc1ncc(-c2ccc(F)cc2)o1.

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

The InChIKey is NLCQOOHWHHJRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-27(17-19-6-2-3-7-21(19)28-14-4-5-15-28)24(29)13-12-23-26-16-22(30-23)18-8-10-20(25)11-9-18/h2-3,6-11,16H,4-5,12-15,17H2,1H3.

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 407.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 35437793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).