N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide

C20H26N4O3 — CID 125001869

About N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide

N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide (PubChem CID 125001869) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
• PubChem CID: 125001869
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
• SMILES: COc1cccc(-c2noc([C@H]3CCN(CC(=O)NC4CCCC4)C3)n2)c1
• InChI: InChI=1S/C20H26N4O3/c1-26-17-8-4-5-14(11-17)19-22-20(27-23-19)15-9-10-24(12-15)13-18(25)21-16-6-2-3-7-16/h4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2,1H3,(H,21,25)/t15-/m0/s1
• InChIKey: SGIXXFFRZWQOJC-HNNXBMFYSA-N
• XLogP: 2.59
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?

The IUPAC name of N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide (CID 125001869) is N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide is COc1cccc(-c2noc([C@H]3CCN(CC(=O)NC4CCCC4)C3)n2)c1.

What is the InChIKey of N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?

The InChIKey is SGIXXFFRZWQOJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-8-4-5-14(11-17)19-22-20(27-23-19)15-9-10-24(12-15)13-18(25)21-16-6-2-3-7-16/h4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2,1H3,(H,21,25)/t15-/m0/s1.

What are the key properties of N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?

N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 125001869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).