2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide

C24H20ClFN4O5 — CID 138631667

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide (PubChem CID 138631667) has the molecular formula C24H20ClFN4O5 and a molecular weight of 498.90 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide
• PubChem CID: 138631667
• Molecular Formula: C24H20ClFN4O5
• Molecular Weight: 498.90 g/mol
• Exact Mass: 498.11
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide
• SMILES: CC1=C(NC(=O)COc2ccc(Cl)c(F)c2)CC1(C)c1nnc(COc2cnc3ccoc3c2)o1
• InChI: InChI=1S/C24H20ClFN4O5/c1-13-19(28-21(31)11-33-14-3-4-16(25)17(26)7-14)9-24(13,2)23-30-29-22(35-23)12-34-15-8-20-18(27-10-15)5-6-32-20/h3-8,10H,9,11-12H2,1-2H3,(H,28,31)
• InChIKey: GMNWPRJONFYQLS-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 112.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.90
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide (CID 138631667) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide is CC1=C(NC(=O)COc2ccc(Cl)c(F)c2)CC1(C)c1nnc(COc2cnc3ccoc3c2)o1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide?

The InChIKey is GMNWPRJONFYQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O5/c1-13-19(28-21(31)11-33-14-3-4-16(25)17(26)7-14)9-24(13,2)23-30-29-22(35-23)12-34-15-8-20-18(27-10-15)5-6-32-20/h3-8,10H,9,11-12H2,1-2H3,(H,28,31).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide has a molecular weight of 498.90 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide is sourced from PubChem (CID 138631667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).