3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C21H23N5O3 — CID 51940356

About 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 51940356) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 51940356
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
• SMILES: C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1
• InChI: InChI=1S/C21H23N5O3/c1-15(20-23-18(24-29-20)14-16-6-3-2-4-7-16)25-10-12-26(13-11-25)21(28)17-8-5-9-22-19(17)27/h2-9,15H,10-14H2,1H3,(H,22,27)/t15-/m0/s1
• InChIKey: YWSWJIVLQDZDGN-HNNXBMFYSA-N
• XLogP: 1.87
• TPSA: 95.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 51940356) is 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1.

What is the InChIKey of 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is YWSWJIVLQDZDGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15(20-23-18(24-29-20)14-16-6-3-2-4-7-16)25-10-12-26(13-11-25)21(28)17-8-5-9-22-19(17)27/h2-9,15H,10-14H2,1H3,(H,22,27)/t15-/m0/s1.

What are the key properties of 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 393.45 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 51940356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).