1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C17H28N4O4 — CID 110108963

About 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 110108963) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 110108963
• Molecular Formula: C17H28N4O4
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.21
• IUPAC Name: 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: CC(C)c1nnc(CCC(=O)N2CCC(O)(CN3CCOCC3)C2)o1
• InChI: InChI=1S/C17H28N4O4/c1-13(2)16-19-18-14(25-16)3-4-15(22)21-6-5-17(23,12-21)11-20-7-9-24-10-8-20/h13,23H,3-12H2,1-2H3
• InChIKey: BIOOEJSDLHSZHB-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 91.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The IUPAC name of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 110108963) is 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

What is the SMILES notation for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The canonical SMILES for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CC(C)c1nnc(CCC(=O)N2CCC(O)(CN3CCOCC3)C2)o1.

What is the InChIKey of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The InChIKey is BIOOEJSDLHSZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-13(2)16-19-18-14(25-16)3-4-15(22)21-6-5-17(23,12-21)11-20-7-9-24-10-8-20/h13,23H,3-12H2,1-2H3.

What are the key properties of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 352.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 110108963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).