5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole

C22H25N3O — CID 58951438

About 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole

5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole (PubChem CID 58951438) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole.

Molecular Properties

• Compound Name: 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
• PubChem CID: 58951438
• Molecular Formula: C22H25N3O
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.20
• IUPAC Name: 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
• SMILES: Cc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCC[C@H]1C
• InChI: InChI=1S/C22H25N3O/c1-16-4-3-14-25(16)15-11-21-17(2)26-22(24-21)20-7-5-18(6-8-20)19-9-12-23-13-10-19/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3/t16-/m1/s1
• InChIKey: MPNWEXLPNITVNZ-MRXNPFEDSA-N
• XLogP: 4.74
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?

The IUPAC name of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole (CID 58951438) is 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole.

What is the SMILES notation for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?

The canonical SMILES for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole is Cc1oc(-c2ccc(-c3ccncc3)cc2)nc1CCN1CCC[C@H]1C.

What is the InChIKey of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?

The InChIKey is MPNWEXLPNITVNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-4-3-14-25(16)15-11-21-17(2)26-22(24-21)20-7-5-18(6-8-20)19-9-12-23-13-10-19/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3/t16-/m1/s1.

What are the key properties of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?

5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole has a molecular weight of 347.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 58951438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).