N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C22H25N3O4 — CID 46521852

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 46521852) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 46521852
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: COc1cccc(C(CNC(=O)Cn2c(=O)oc3ccccc32)N2CCCC2)c1
• InChI: InChI=1S/C22H25N3O4/c1-28-17-8-6-7-16(13-17)19(24-11-4-5-12-24)14-23-21(26)15-25-18-9-2-3-10-20(18)29-22(25)27/h2-3,6-10,13,19H,4-5,11-12,14-15H2,1H3,(H,23,26)
• InChIKey: WHWFSZZUYDDLKX-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 46521852) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1cccc(C(CNC(=O)Cn2c(=O)oc3ccccc32)N2CCCC2)c1.

What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is WHWFSZZUYDDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-17-8-6-7-16(13-17)19(24-11-4-5-12-24)14-23-21(26)15-25-18-9-2-3-10-20(18)29-22(25)27/h2-3,6-10,13,19H,4-5,11-12,14-15H2,1H3,(H,23,26).

What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 46521852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).