2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide

C21H20FN3O3 — CID 110606946

About 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide

2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 110606946) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
• PubChem CID: 110606946
• Molecular Formula: C21H20FN3O3
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.15
• IUPAC Name: 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
• SMILES: COc1cccc(-c2nnc(CNC(=O)C(c3ccc(F)cc3)C3CC3)o2)c1
• InChI: InChI=1S/C21H20FN3O3/c1-27-17-4-2-3-15(11-17)21-25-24-18(28-21)12-23-20(26)19(13-5-6-13)14-7-9-16(22)10-8-14/h2-4,7-11,13,19H,5-6,12H2,1H3,(H,23,26)
• InChIKey: MKYREDUQSUGTGH-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?

The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 110606946) is 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?

The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is COc1cccc(-c2nnc(CNC(=O)C(c3ccc(F)cc3)C3CC3)o2)c1.

What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?

The InChIKey is MKYREDUQSUGTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-17-4-2-3-15(11-17)21-25-24-18(28-21)12-23-20(26)19(13-5-6-13)14-7-9-16(22)10-8-14/h2-4,7-11,13,19H,5-6,12H2,1H3,(H,23,26).

What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?

2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 110606946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).