[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C24H24N6O2 — CID 118355176

About [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118355176) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 118355176
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
• SMILES: Cc1cc(C)cc(-c2nnc(C3CCCN3C(=O)c3cc(C)ccc3-n3nccn3)o2)c1
• InChI: InChI=1S/C24H24N6O2/c1-15-6-7-20(30-25-8-9-26-30)19(14-15)24(31)29-10-4-5-21(29)23-28-27-22(32-23)18-12-16(2)11-17(3)13-18/h6-9,11-14,21H,4-5,10H2,1-3H3
• InChIKey: JQHABKORPATLBV-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 89.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 118355176) is [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1cc(C)cc(-c2nnc(C3CCCN3C(=O)c3cc(C)ccc3-n3nccn3)o2)c1.

What is the InChIKey of [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The InChIKey is JQHABKORPATLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-6-7-20(30-25-8-9-26-30)19(14-15)24(31)29-10-4-5-21(29)23-28-27-22(32-23)18-12-16(2)11-17(3)13-18/h6-9,11-14,21H,4-5,10H2,1-3H3.

What are the key properties of [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 428.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118355176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).