[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone

C16H21N5O5 — CID 56875485

About [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone

[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone (PubChem CID 56875485) has the molecular formula C16H21N5O5 and a molecular weight of 363.37 g/mol. Its IUPAC name is [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
• PubChem CID: 56875485
• Molecular Formula: C16H21N5O5
• Molecular Weight: 363.37 g/mol
• Exact Mass: 363.15
• IUPAC Name: [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
• SMILES: C/C=C/Cc1nnc(C(=O)N2CCOC(Cc3nc(COC)no3)C2)o1
• InChI: InChI=1S/C16H21N5O5/c1-3-4-5-13-18-19-15(25-13)16(22)21-6-7-24-11(9-21)8-14-17-12(10-23-2)20-26-14/h3-4,11H,5-10H2,1-2H3/b4-3+
• InChIKey: DHAOSVMJCUFDSG-ONEGZZNKSA-N
• XLogP: 0.80
• TPSA: 116.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.37
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?

The IUPAC name of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone (CID 56875485) is [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone.

What is the SMILES notation for [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?

The canonical SMILES for [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone is C/C=C/Cc1nnc(C(=O)N2CCOC(Cc3nc(COC)no3)C2)o1.

What is the InChIKey of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?

The InChIKey is DHAOSVMJCUFDSG-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H21N5O5/c1-3-4-5-13-18-19-15(25-13)16(22)21-6-7-24-11(9-21)8-14-17-12(10-23-2)20-26-14/h3-4,11H,5-10H2,1-2H3/b4-3+.

What are the key properties of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?

[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone has a molecular weight of 363.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56875485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).