N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide

C34H43N5O3 — CID 171473186

About N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide

N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide (PubChem CID 171473186) has the molecular formula C34H43N5O3 and a molecular weight of 569.75 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide
• PubChem CID: 171473186
• Molecular Formula: C34H43N5O3
• Molecular Weight: 569.75 g/mol
• Exact Mass: 569.34
• IUPAC Name: N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide
• SMILES: Cn1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)CC3CCCOC3)c2)nc1C1CC1
• InChI: InChI=1S/C34H43N5O3/c1-38-20-28(35-31(38)25-9-10-25)26-5-2-6-27(19-26)39(29(40)18-23-4-3-17-41-21-23)22-33-11-14-34(15-12-33,16-13-33)32-36-30(37-42-32)24-7-8-24/h2,5-6,19-20,23-25H,3-4,7-18,21-22H2,1H3
• InChIKey: QGOUESIWNJNKDU-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 86.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.75
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide?

The IUPAC name of N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide (CID 171473186) is N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide.

What is the SMILES notation for N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide?

The canonical SMILES for N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide is Cn1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)CC3CCCOC3)c2)nc1C1CC1.

What is the InChIKey of N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide?

The InChIKey is QGOUESIWNJNKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O3/c1-38-20-28(35-31(38)25-9-10-25)26-5-2-6-27(19-26)39(29(40)18-23-4-3-17-41-21-23)22-33-11-14-34(15-12-33,16-13-33)32-36-30(37-42-32)24-7-8-24/h2,5-6,19-20,23-25H,3-4,7-18,21-22H2,1H3.

What are the key properties of N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide?

N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide has a molecular weight of 569.75 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 171473186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).