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

C12H21N5O2 — CID 107435925

IUPAC5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCCN(CC)CCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C12H21N5O2/c1-3-17(4-2)6-5-10-15-12(19-16-10)9-7-14-11(18)8-13-9/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyHAGKJADPQUQEHJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.29
Rot. Bonds6

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

5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107435925) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107435925
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCCN(CC)CCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C12H21N5O2/c1-3-17(4-2)6-5-10-15-12(19-16-10)9-7-14-11(18)8-13-9/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyHAGKJADPQUQEHJ-UHFFFAOYSA-N
XLogP-0.29
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436810
(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911066
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
N,N-diethyl-2-[5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79369553
5-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436398
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436401

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107435925) is 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one is CCN(CC)CCc1noc(C2CNC(=O)CN2)n1.
What is the InChIKey of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is HAGKJADPQUQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-17(4-2)6-5-10-15-12(19-16-10)9-7-14-11(18)8-13-9/h9,13H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 267.33 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107435925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).