4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C16H21N5O3 — CID 167780543

About 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 167780543) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
• PubChem CID: 167780543
• Molecular Formula: C16H21N5O3
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.16
• IUPAC Name: 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
• SMILES: COCCN1CC(c2nc(-c3ccnc(N(C)C)c3)no2)CC1=O
• InChI: InChI=1S/C16H21N5O3/c1-20(2)13-8-11(4-5-17-13)15-18-16(24-19-15)12-9-14(22)21(10-12)6-7-23-3/h4-5,8,12H,6-7,9-10H2,1-3H3
• InChIKey: LKPWEAUJGKAJSW-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?

The IUPAC name of 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 167780543) is 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

What is the SMILES notation for 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?

The canonical SMILES for 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(c2nc(-c3ccnc(N(C)C)c3)no2)CC1=O.

What is the InChIKey of 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?

The InChIKey is LKPWEAUJGKAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-20(2)13-8-11(4-5-17-13)15-18-16(24-19-15)12-9-14(22)21(10-12)6-7-23-3/h4-5,8,12H,6-7,9-10H2,1-3H3.

What are the key properties of 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?

4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 331.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 167780543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).