4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

C19H20N4O3 — CID 18383958

About 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 18383958) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

• Compound Name: 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
• PubChem CID: 18383958
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
• SMILES: CC1C(NC(=O)c2ccc(Oc3ncc(C#N)o3)cc2)C2CCN1CC2
• InChI: InChI=1S/C19H20N4O3/c1-12-17(13-6-8-23(12)9-7-13)22-18(24)14-2-4-15(5-3-14)25-19-21-11-16(10-20)26-19/h2-5,11-13,17H,6-9H2,1H3,(H,22,24)
• InChIKey: IDEPWFHFHCFUQU-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 91.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?

The IUPAC name of 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 18383958) is 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

What is the SMILES notation for 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?

The canonical SMILES for 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is CC1C(NC(=O)c2ccc(Oc3ncc(C#N)o3)cc2)C2CCN1CC2.

What is the InChIKey of 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?

The InChIKey is IDEPWFHFHCFUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-17(13-6-8-23(12)9-7-13)22-18(24)14-2-4-15(5-3-14)25-19-21-11-16(10-20)26-19/h2-5,11-13,17H,6-9H2,1H3,(H,22,24).

What are the key properties of 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?

4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 18383958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).