1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide

C22H21N3O4 — CID 16866574

About 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 16866574) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 16866574
• Molecular Formula: C22H21N3O4
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.15
• IUPAC Name: 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
• SMILES: COc1cccc(N2CC(C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)c1
• InChI: InChI=1S/C22H21N3O4/c1-28-19-9-5-8-18(12-19)25-14-16(10-21(25)26)22(27)23-13-17-11-20(29-24-17)15-6-3-2-4-7-15/h2-9,11-12,16H,10,13-14H2,1H3,(H,23,27)
• InChIKey: JKJJVJCRHHOLOR-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 16866574) is 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)c1.

What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is JKJJVJCRHHOLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-19-9-5-8-18(12-19)25-14-16(10-21(25)26)22(27)23-13-17-11-20(29-24-17)15-6-3-2-4-7-15/h2-9,11-12,16H,10,13-14H2,1H3,(H,23,27).

What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?

1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 16866574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).