2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide

C21H21F3N6O2 — CID 118308306

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (PubChem CID 118308306) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.

Molecular Properties

• Compound Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
• PubChem CID: 118308306
• Molecular Formula: C21H21F3N6O2
• Molecular Weight: 446.43 g/mol
• Exact Mass: 446.17
• IUPAC Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
• SMILES: Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@]2(C)Nc2cnc(C(F)(F)F)cn2)n1
• InChI: InChI=1S/C21H21F3N6O2/c1-12-27-19(32-30-12)14-7-4-3-6-13(14)18(31)28-15-8-5-9-20(15,2)29-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,29)(H,28,31)/t15-,20-/m0/s1
• InChIKey: HOGCJGWOKMWHMI-YWZLYKJASA-N
• XLogP: 4.01
• TPSA: 105.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.43
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?

The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (CID 118308306) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.

What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?

The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@]2(C)Nc2cnc(C(F)(F)F)cn2)n1.

What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?

The InChIKey is HOGCJGWOKMWHMI-YWZLYKJASA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-12-27-19(32-30-12)14-7-4-3-6-13(14)18(31)28-15-8-5-9-20(15,2)29-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,29)(H,28,31)/t15-,20-/m0/s1.

What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide has a molecular weight of 446.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118308306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).