1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C18H25N5O3 — CID 110119302

About 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 110119302) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• PubChem CID: 110119302
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• SMILES: Cc1nonc1CC(=O)N1CCOC(CCc2ccnc(N(C)C)c2)C1
• InChI: InChI=1S/C18H25N5O3/c1-13-16(21-26-20-13)11-18(24)23-8-9-25-15(12-23)5-4-14-6-7-19-17(10-14)22(2)3/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3
• InChIKey: KPQWLXOXNSJTDO-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The IUPAC name of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 110119302) is 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

What is the SMILES notation for 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The canonical SMILES for 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1CCOC(CCc2ccnc(N(C)C)c2)C1.

What is the InChIKey of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The InChIKey is KPQWLXOXNSJTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13-16(21-26-20-13)11-18(24)23-8-9-25-15(12-23)5-4-14-6-7-19-17(10-14)22(2)3/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3.

What are the key properties of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 359.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110119302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).