2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide

C23H21ClFN5O4 — CID 154979280

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide (PubChem CID 154979280) has the molecular formula C23H21ClFN5O4 and a molecular weight of 485.90 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide
• PubChem CID: 154979280
• Molecular Formula: C23H21ClFN5O4
• Molecular Weight: 485.90 g/mol
• Exact Mass: 485.13
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide
• SMILES: CC1(NC(=O)COc2ccc(Cl)c(F)c2)CC(C)(c2nnc(COc3cncc(C#N)c3)o2)C1
• InChI: InChI=1S/C23H21ClFN5O4/c1-22(21-30-29-20(34-21)11-33-16-5-14(7-26)8-27-9-16)12-23(2,13-22)28-19(31)10-32-15-3-4-17(24)18(25)6-15/h3-6,8-9H,10-13H2,1-2H3,(H,28,31)
• InChIKey: WCEHAYIYDYJIHF-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 123.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.90
LogP ≤ 5	3.71
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-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide (CID 154979280) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide is CC1(NC(=O)COc2ccc(Cl)c(F)c2)CC(C)(c2nnc(COc3cncc(C#N)c3)o2)C1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide?

The InChIKey is WCEHAYIYDYJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O4/c1-22(21-30-29-20(34-21)11-33-16-5-14(7-26)8-27-9-16)12-23(2,13-22)28-19(31)10-32-15-3-4-17(24)18(25)6-15/h3-6,8-9H,10-13H2,1-2H3,(H,28,31).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide has a molecular weight of 485.90 g/mol, XLogP of 3.71, 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-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide is sourced from PubChem (CID 154979280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).