1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C26H23N3O4 — CID 16867459

About 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 16867459) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 16867459
• Molecular Formula: C26H23N3O4
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.17
• IUPAC Name: 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1cccc(N2CC(C(=O)NCc3cc(-c4ccc5ccccc5c4)on3)CC2=O)c1
• InChI: InChI=1S/C26H23N3O4/c1-32-23-8-4-7-22(14-23)29-16-20(12-25(29)30)26(31)27-15-21-13-24(33-28-21)19-10-9-17-5-2-3-6-18(17)11-19/h2-11,13-14,20H,12,15-16H2,1H3,(H,27,31)
• InChIKey: PYWGCCATBFENDC-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 16867459) is 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCc3cc(-c4ccc5ccccc5c4)on3)CC2=O)c1.

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

The InChIKey is PYWGCCATBFENDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-32-23-8-4-7-22(14-23)29-16-20(12-25(29)30)26(31)27-15-21-13-24(33-28-21)19-10-9-17-5-2-3-6-18(17)11-19/h2-11,13-14,20H,12,15-16H2,1H3,(H,27,31).

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

1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16867459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).