1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one

C23H25N3O3 — CID 71784336

About 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one

1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one (PubChem CID 71784336) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

• Compound Name: 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one
• PubChem CID: 71784336
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one
• SMILES: CCC(C(=O)N1CC(c2nc(Cc3ccccc3OC)no2)C1)c1ccccc1
• InChI: InChI=1S/C23H25N3O3/c1-3-19(16-9-5-4-6-10-16)23(27)26-14-18(15-26)22-24-21(25-29-22)13-17-11-7-8-12-20(17)28-2/h4-12,18-19H,3,13-15H2,1-2H3
• InChIKey: BHBLXLJZFHRUBG-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one (CID 71784336) is 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one.

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

The canonical SMILES for 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CC(c2nc(Cc3ccccc3OC)no2)C1)c1ccccc1.

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

The InChIKey is BHBLXLJZFHRUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-19(16-9-5-4-6-10-16)23(27)26-14-18(15-26)22-24-21(25-29-22)13-17-11-7-8-12-20(17)28-2/h4-12,18-19H,3,13-15H2,1-2H3.

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

1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one has a molecular weight of 391.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 71784336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).