N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide

C25H25FN4O4 — CID 154979347

About N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide

N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide (PubChem CID 154979347) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
• PubChem CID: 154979347
• Molecular Formula: C25H25FN4O4
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.19
• IUPAC Name: N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
• SMILES: Cc1ccc(OCC(=O)NC23CC(c4nc(COc5ccc(C6CC6)nc5)no4)(C2)C3)cc1F
• InChI: InChI=1S/C25H25FN4O4/c1-15-2-5-17(8-19(15)26)33-11-22(31)29-25-12-24(13-25,14-25)23-28-21(30-34-23)10-32-18-6-7-20(27-9-18)16-3-4-16/h2,5-9,16H,3-4,10-14H2,1H3,(H,29,31)
• InChIKey: ZQGMCPNVOANCRW-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.50
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?

The IUPAC name of N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide (CID 154979347) is N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide.

What is the SMILES notation for N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?

The canonical SMILES for N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC23CC(c4nc(COc5ccc(C6CC6)nc5)no4)(C2)C3)cc1F.

What is the InChIKey of N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?

The InChIKey is ZQGMCPNVOANCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-15-2-5-17(8-19(15)26)33-11-22(31)29-25-12-24(13-25,14-25)23-28-21(30-34-23)10-32-18-6-7-20(27-9-18)16-3-4-16/h2,5-9,16H,3-4,10-14H2,1H3,(H,29,31).

What are the key properties of N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?

N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide has a molecular weight of 464.50 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide is sourced from PubChem (CID 154979347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).