(4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

C23H24ClN3O2 — CID 3983065

About (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

(4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 3983065) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 3983065
• Molecular Formula: C23H24ClN3O2
• Molecular Weight: 409.92 g/mol
• Exact Mass: 409.16
• IUPAC Name: (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
• SMILES: CC(C)(C)c1ccc(C(=O)N2CCCC2c2nc(-c3ccc(Cl)cc3)no2)cc1
• InChI: InChI=1S/C23H24ClN3O2/c1-23(2,3)17-10-6-16(7-11-17)22(28)27-14-4-5-19(27)21-25-20(26-29-21)15-8-12-18(24)13-9-15/h6-13,19H,4-5,14H2,1-3H3
• InChIKey: SGYIHAAZWIOBEF-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.92
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 3983065) is (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCCC2c2nc(-c3ccc(Cl)cc3)no2)cc1.

What is the InChIKey of (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

The InChIKey is SGYIHAAZWIOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-23(2,3)17-10-6-16(7-11-17)22(28)27-14-4-5-19(27)21-25-20(26-29-21)15-8-12-18(24)13-9-15/h6-13,19H,4-5,14H2,1-3H3.

What are the key properties of (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

(4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 409.92 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 3983065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).