4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile

C17H20N4O3 — CID 97211601

About 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile

4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile (PubChem CID 97211601) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile.

Molecular Properties

• Compound Name: 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile
• PubChem CID: 97211601
• Molecular Formula: C17H20N4O3
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.15
• IUPAC Name: 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile
• SMILES: Cc1nc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)no1
• InChI: InChI=1S/C17H20N4O3/c1-12-19-17(20-24-12)16-3-2-8-21(16)10-14(22)11-23-15-6-4-13(9-18)5-7-15/h4-7,14,16,22H,2-3,8,10-11H2,1H3/t14-,16+/m0/s1
• InChIKey: DYVWMDZVNJROQQ-GOEBONIOSA-N
• XLogP: 1.83
• TPSA: 95.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile?

The IUPAC name of 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile (CID 97211601) is 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile.

What is the SMILES notation for 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile?

The canonical SMILES for 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile is Cc1nc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)no1.

What is the InChIKey of 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile?

The InChIKey is DYVWMDZVNJROQQ-GOEBONIOSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-19-17(20-24-12)16-3-2-8-21(16)10-14(22)11-23-15-6-4-13(9-18)5-7-15/h4-7,14,16,22H,2-3,8,10-11H2,1H3/t14-,16+/m0/s1.

What are the key properties of 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile?

4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile has a molecular weight of 328.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile is sourced from PubChem (CID 97211601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).