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

C25H20ClN3O2 — CID 10342625

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

(4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 10342625) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 10342625
• Molecular Formula: C25H20ClN3O2
• Molecular Weight: 429.91 g/mol
• Exact Mass: 429.12
• IUPAC Name: (4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc(Cl)cc1)N1CCCC1c1nnc(-c2ccc(-c3ccccc3)cc2)o1
• InChI: InChI=1S/C25H20ClN3O2/c26-21-14-12-20(13-15-21)25(30)29-16-4-7-22(29)24-28-27-23(31-24)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-15,22H,4,7,16H2
• InChIKey: RTGZEAOBKVKXLM-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.91
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 10342625) is (4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for (4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCCC1c1nnc(-c2ccc(-c3ccccc3)cc2)o1.

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

The InChIKey is RTGZEAOBKVKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c26-21-14-12-20(13-15-21)25(30)29-16-4-7-22(29)24-28-27-23(31-24)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-15,22H,4,7,16H2.

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

(4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 429.91 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 10342625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).