N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C24H27FN4O4S — CID 24575470

About N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24575470) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 24575470
• Molecular Formula: C24H27FN4O4S
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.17
• IUPAC Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: CC(Oc1ccc(F)cc1)c1nnc(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)o1
• InChI: InChI=1S/C24H27FN4O4S/c1-17(32-20-9-7-19(25)8-10-20)23-27-28-24(33-23)34-16-22(30)26-13-21-15-29(11-12-31-21)14-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3,(H,26,30)
• InChIKey: FXXNYYVAWXYYRY-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 24575470) is N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(Oc1ccc(F)cc1)c1nnc(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)o1.

What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is FXXNYYVAWXYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-17(32-20-9-7-19(25)8-10-20)23-27-28-24(33-23)34-16-22(30)26-13-21-15-29(11-12-31-21)14-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3,(H,26,30).

What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24575470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).