5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

C21H19N5O3 — CID 68686393

About 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 68686393) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
• PubChem CID: 68686393
• Molecular Formula: C21H19N5O3
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.15
• IUPAC Name: 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
• SMILES: N#Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cn1
• InChI: InChI=1S/C21H19N5O3/c22-12-16-10-9-15(13-23-16)21-24-20(25-29-21)18-8-4-5-11-26(18)19(27)14-28-17-6-2-1-3-7-17/h1-3,6-7,9-10,13,18H,4-5,8,11,14H2/t18-/m1/s1
• InChIKey: YBXXVIFGZIITFW-GOSISDBHSA-N
• XLogP: 3.14
• TPSA: 105.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?

The IUPAC name of 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 68686393) is 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cn1.

What is the InChIKey of 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?

The InChIKey is YBXXVIFGZIITFW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19N5O3/c22-12-16-10-9-15(13-23-16)21-24-20(25-29-21)18-8-4-5-11-26(18)19(27)14-28-17-6-2-1-3-7-17/h1-3,6-7,9-10,13,18H,4-5,8,11,14H2/t18-/m1/s1.

What are the key properties of 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?

5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 389.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 68686393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).