N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide

C24H30F3N5O2 — CID 60512591

About N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide

N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide (PubChem CID 60512591) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
• PubChem CID: 60512591
• Molecular Formula: C24H30F3N5O2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.24
• IUPAC Name: N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
• SMILES: CC(c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(=O)NC(C2CC2)C2CC2)CC1
• InChI: InChI=1S/C24H30F3N5O2/c1-15(23-29-22(30-34-23)18-3-2-4-19(13-18)24(25,26)27)32-11-9-31(10-12-32)14-20(33)28-21(16-5-6-16)17-7-8-17/h2-4,13,15-17,21H,5-12,14H2,1H3,(H,28,33)
• InChIKey: GZRZEEGZDXRVBB-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide (CID 60512591) is N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide is CC(c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(=O)NC(C2CC2)C2CC2)CC1.

What is the InChIKey of N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

The InChIKey is GZRZEEGZDXRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-15(23-29-22(30-34-23)18-3-2-4-19(13-18)24(25,26)27)32-11-9-31(10-12-32)14-20(33)28-21(16-5-6-16)17-7-8-17/h2-4,13,15-17,21H,5-12,14H2,1H3,(H,28,33).

What are the key properties of N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide has a molecular weight of 477.53 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60512591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).