2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide

C22H18ClN3O3 — CID 92865777

About 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 92865777) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
• PubChem CID: 92865777
• Molecular Formula: C22H18ClN3O3
• Molecular Weight: 407.86 g/mol
• Exact Mass: 407.10
• IUPAC Name: 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
• SMILES: C[C@@H](Cc1ccco1)NC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
• InChI: InChI=1S/C22H18ClN3O3/c1-14(13-17-5-4-12-28-17)24-21(27)18-6-2-3-7-19(18)22-25-20(26-29-22)15-8-10-16(23)11-9-15/h2-12,14H,13H2,1H3,(H,24,27)/t14-/m0/s1
• InChIKey: IRLDKAVTWZNNMT-AWEZNQCLSA-N
• XLogP: 5.01
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.86
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide?

The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide (CID 92865777) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide.

What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide?

The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide is C[C@@H](Cc1ccco1)NC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1.

What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide?

The InChIKey is IRLDKAVTWZNNMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-14(13-17-5-4-12-28-17)24-21(27)18-6-2-3-7-19(18)22-25-20(26-29-22)15-8-10-16(23)11-9-15/h2-12,14H,13H2,1H3,(H,24,27)/t14-/m0/s1.

What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide?

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 407.86 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 92865777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).