2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide

C18H26FN3O2 — CID 128994494

About 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide

2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide (PubChem CID 128994494) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide
• PubChem CID: 128994494
• Molecular Formula: C18H26FN3O2
• Molecular Weight: 335.42 g/mol
• Exact Mass: 335.20
• IUPAC Name: 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide
• SMILES: Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1C=CCC1
• InChI: InChI=1S/C18H26FN3O2/c1-12-17(13(2)24-21-12)11-22-10-15(19)8-16(22)9-20-18(23)7-14-5-3-4-6-14/h3,5,14-16H,4,6-11H2,1-2H3,(H,20,23)/t14?,15-,16-/m0/s1
• InChIKey: PBKAWVSMVRJSDS-YVZMLIKISA-N
• XLogP: 2.68
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.42
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide?

The IUPAC name of 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide (CID 128994494) is 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide.

What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide?

The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide is Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1C=CCC1.

What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide?

The InChIKey is PBKAWVSMVRJSDS-YVZMLIKISA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-12-17(13(2)24-21-12)11-22-10-15(19)8-16(22)9-20-18(23)7-14-5-3-4-6-14/h3,5,14-16H,4,6-11H2,1-2H3,(H,20,23)/t14?,15-,16-/m0/s1.

What are the key properties of 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide?

2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide has a molecular weight of 335.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 128994494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).