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

C9H14N4O3 — CID 107436079

IUPAC5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCOCCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C9H14N4O3/c1-15-3-2-7-12-9(16-13-7)6-4-11-8(14)5-10-6/h6,10H,2-5H2,1H3,(H,11,14)
InChIKeyUGNBIAGNLWCHJI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.98
Rot. Bonds4

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

5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107436079) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107436079
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCOCCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C9H14N4O3/c1-15-3-2-7-12-9(16-13-7)6-4-11-8(14)5-10-6/h6,10H,2-5H2,1H3,(H,11,14)
InChIKeyUGNBIAGNLWCHJI-UHFFFAOYSA-N
XLogP-0.98
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436810
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
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
N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 107436807
5-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436398
5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064817
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
5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436486

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107436079) is 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is COCCc1noc(C2CNC(=O)CN2)n1.
What is the InChIKey of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is UGNBIAGNLWCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-15-3-2-7-12-9(16-13-7)6-4-11-8(14)5-10-6/h6,10H,2-5H2,1H3,(H,11,14).
What are the key properties of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 226.24 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107436079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).