1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone

C16H20N4O4 — CID 128993269

About 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone

1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone (PubChem CID 128993269) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

• Compound Name: 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
• PubChem CID: 128993269
• Molecular Formula: C16H20N4O4
• Molecular Weight: 332.36 g/mol
• Exact Mass: 332.15
• IUPAC Name: 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
• SMILES: CC(C)c1nnc(C2COCCN2C(=O)COc2cccnc2)o1
• InChI: InChI=1S/C16H20N4O4/c1-11(2)15-18-19-16(24-15)13-9-22-7-6-20(13)14(21)10-23-12-4-3-5-17-8-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3
• InChIKey: XBENQSZRWYWJCG-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 90.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.36
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?

The IUPAC name of 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone (CID 128993269) is 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone.

What is the SMILES notation for 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?

The canonical SMILES for 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone is CC(C)c1nnc(C2COCCN2C(=O)COc2cccnc2)o1.

What is the InChIKey of 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?

The InChIKey is XBENQSZRWYWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-11(2)15-18-19-16(24-15)13-9-22-7-6-20(13)14(21)10-23-12-4-3-5-17-8-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3.

What are the key properties of 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?

1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 332.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 128993269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).