5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one

C11H18N4O4 — CID 107436810

IUPAC5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCOCCOCCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C11H18N4O4/c1-17-4-5-18-3-2-9-14-11(19-15-9)8-6-13-10(16)7-12-8/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyIVTQBVFSLDYOBX-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.96
Rot. Bonds7

About 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one

5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107436810) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107436810
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCOCCOCCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C11H18N4O4/c1-17-4-5-18-3-2-9-14-11(19-15-9)8-6-13-10(16)7-12-8/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyIVTQBVFSLDYOBX-UHFFFAOYSA-N
XLogP-0.96
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436079
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436173
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435925
N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 107436807
5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436312
5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436114
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436719
5-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436398
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552164
2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
CID 102926987
5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436401
3-(3-methoxypropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895641

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107436810) is 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one is COCCOCCc1noc(C2CNC(=O)CN2)n1.
What is the InChIKey of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is IVTQBVFSLDYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-17-4-5-18-3-2-9-14-11(19-15-9)8-6-13-10(16)7-12-8/h8,12H,2-7H2,1H3,(H,13,16).
What are the key properties of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 270.29 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107436810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).