(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C20H22FN3O3 — CID 110353842

About (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 110353842) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
• PubChem CID: 110353842
• Molecular Formula: C20H22FN3O3
• Molecular Weight: 371.41 g/mol
• Exact Mass: 371.16
• IUPAC Name: (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
• SMILES: Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(c2ccc(F)cc2)C2CC2)no1
• InChI: InChI=1S/C20H22FN3O3/c1-12-11-17(23-27-12)22-19(25)16-3-2-10-24(16)20(26)18(13-4-5-13)14-6-8-15(21)9-7-14/h6-9,11,13,16,18H,2-5,10H2,1H3,(H,22,23,25)/t16-,18?/m0/s1
• InChIKey: HQYKHHIJTBUIHA-ATNAJCNCSA-N
• XLogP: 3.25
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.41
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 110353842) is (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(c2ccc(F)cc2)C2CC2)no1.

What is the InChIKey of (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

The InChIKey is HQYKHHIJTBUIHA-ATNAJCNCSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12-11-17(23-27-12)22-19(25)16-3-2-10-24(16)20(26)18(13-4-5-13)14-6-8-15(21)9-7-14/h6-9,11,13,16,18H,2-5,10H2,1H3,(H,22,23,25)/t16-,18?/m0/s1.

What are the key properties of (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110353842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).