1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C26H32N4O2 — CID 110262759

About 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 110262759) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 110262759
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: Cc1cc(Cc2ccccc2C)cc(C2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1
• InChI: InChI=1S/C26H32N4O2/c1-17(2)26-29-28-24(32-26)11-12-25(31)30-13-7-10-23(30)22-16-20(14-19(4)27-22)15-21-9-6-5-8-18(21)3/h5-6,8-9,14,16-17,23H,7,10-13,15H2,1-4H3
• InChIKey: LQQXXBKMUFNOTA-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The IUPAC name of 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 110262759) is 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

What is the SMILES notation for 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The canonical SMILES for 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1cc(Cc2ccccc2C)cc(C2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1.

What is the InChIKey of 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The InChIKey is LQQXXBKMUFNOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17(2)26-29-28-24(32-26)11-12-25(31)30-13-7-10-23(30)22-16-20(14-19(4)27-22)15-21-9-6-5-8-18(21)3/h5-6,8-9,14,16-17,23H,7,10-13,15H2,1-4H3.

What are the key properties of 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 432.57 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 110262759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).