N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide

C22H26N6O2 — CID 151219572

About N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide

N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide (PubChem CID 151219572) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide.

Molecular Properties

• Compound Name: N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide
• PubChem CID: 151219572
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide
• SMILES: Cc1ccc(-c2noc(C)c2COc2cnc(/C(N)=N/C3(C)CCCC3)cn2)cn1
• InChI: InChI=1S/C22H26N6O2/c1-14-6-7-16(10-24-14)20-17(15(2)30-28-20)13-29-19-12-25-18(11-26-19)21(23)27-22(3)8-4-5-9-22/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H2,23,27)
• InChIKey: NLZLXIJAGDNGFN-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 112.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide?

The IUPAC name of N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide (CID 151219572) is N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide.

What is the SMILES notation for N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide?

The canonical SMILES for N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide is Cc1ccc(-c2noc(C)c2COc2cnc(/C(N)=N/C3(C)CCCC3)cn2)cn1.

What is the InChIKey of N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide?

The InChIKey is NLZLXIJAGDNGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14-6-7-16(10-24-14)20-17(15(2)30-28-20)13-29-19-12-25-18(11-26-19)21(23)27-22(3)8-4-5-9-22/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H2,23,27).

What are the key properties of N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide?

N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide has a molecular weight of 406.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 151219572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).