2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide

C₁₈H₂₀N₄O₂ — CID 154794496

About 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide

2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide (PubChem CID 154794496) has the molecular formula C₁₈H₂₀N₄O₂ and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
• PubChem CID: 154794496
• Molecular Formula: C₁₈H₂₀N₄O₂
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.16
• IUPAC Name: 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
• SMILES: Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1
• InChI: InChI=1S/C18H20N4O2/c1-22-8-7-20-18(22)17-15(6-9-24-17)12-21-16(23)10-13-2-4-14(11-19)5-3-13/h2-5,7-8,15,17H,6,9-10,12H2,1H3,(H,21,23)/t15-,17+/m0/s1
• InChIKey: ZEQJCFYGUBFOTJ-DOTOQJQBSA-N
• XLogP: 1.73
• TPSA: 79.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?

The IUPAC name of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide (CID 154794496) is 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide.

What is the SMILES notation for 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?

The canonical SMILES for 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide is Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1.

What is the InChIKey of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?

The InChIKey is ZEQJCFYGUBFOTJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22-8-7-20-18(22)17-15(6-9-24-17)12-21-16(23)10-13-2-4-14(11-19)5-3-13/h2-5,7-8,15,17H,6,9-10,12H2,1H3,(H,21,23)/t15-,17+/m0/s1.

What are the key properties of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?

2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 154794496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154794496 — identifiers, structure, computed properties (public domain)

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