N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

C17H29N5O4S — CID 43065565

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 43065565) has the molecular formula C17H29N5O4S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
• PubChem CID: 43065565
• Molecular Formula: C17H29N5O4S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.19
• IUPAC Name: N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
• SMILES: CC(C)c1noc(CN2CCN(CC(=O)NC3(C)CCS(=O)(=O)C3)CC2)n1
• InChI: InChI=1S/C17H29N5O4S/c1-13(2)16-18-15(26-20-16)11-22-7-5-21(6-8-22)10-14(23)19-17(3)4-9-27(24,25)12-17/h13H,4-12H2,1-3H3,(H,19,23)
• InChIKey: DESGTMUMABZHHE-UHFFFAOYSA-N
• XLogP: 0.00
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	0.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 43065565) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is CC(C)c1noc(CN2CCN(CC(=O)NC3(C)CCS(=O)(=O)C3)CC2)n1.

What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?

The InChIKey is DESGTMUMABZHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O4S/c1-13(2)16-18-15(26-20-16)11-22-7-5-21(6-8-22)10-14(23)19-17(3)4-9-27(24,25)12-17/h13H,4-12H2,1-3H3,(H,19,23).

What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43065565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).