[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone

C25H18ClN3O3 — CID 121095262

About [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 121095262) has the molecular formula C25H18ClN3O3 and a molecular weight of 443.89 g/mol. Its IUPAC name is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

• Compound Name: [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone
• PubChem CID: 121095262
• Molecular Formula: C25H18ClN3O3
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.10
• IUPAC Name: [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone
• SMILES: O=C(C1c2ccccc2Oc2ccccc21)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
• InChI: InChI=1S/C25H18ClN3O3/c26-17-7-5-6-15(12-17)23-27-24(32-28-23)16-13-29(14-16)25(30)22-18-8-1-3-10-20(18)31-21-11-4-2-9-19(21)22/h1-12,16,22H,13-14H2
• InChIKey: QZPIMCFASFTDGA-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?

The IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone (CID 121095262) is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone.

What is the SMILES notation for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?

The canonical SMILES for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1.

What is the InChIKey of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?

The InChIKey is QZPIMCFASFTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3/c26-17-7-5-6-15(12-17)23-27-24(32-28-23)16-13-29(14-16)25(30)22-18-8-1-3-10-20(18)31-21-11-4-2-9-19(21)22/h1-12,16,22H,13-14H2.

What are the key properties of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 443.89 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 121095262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).