cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C19H23N3O3 — CID 121096536

About cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 121096536) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• PubChem CID: 121096536
• Molecular Formula: C19H23N3O3
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.17
• IUPAC Name: cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• SMILES: COc1ccccc1-c1noc(C2CN(C(=O)C3CCCCC3)C2)n1
• InChI: InChI=1S/C19H23N3O3/c1-24-16-10-6-5-9-15(16)17-20-18(25-21-17)14-11-22(12-14)19(23)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3
• InChIKey: NGJFZQJTXJZURY-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 121096536) is cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is COc1ccccc1-c1noc(C2CN(C(=O)C3CCCCC3)C2)n1.

What is the InChIKey of cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The InChIKey is NGJFZQJTXJZURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-16-10-6-5-9-15(16)17-20-18(25-21-17)14-11-22(12-14)19(23)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3.

What are the key properties of cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 121096536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).