N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide

C9H13N5O3 — CID 107436807

IUPACN-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C9H13N5O3/c1-2-10-8(16)7-13-9(17-14-7)5-3-12-6(15)4-11-5/h5,11H,2-4H2,1H3,(H,10,16)(H,12,15)
InChIKeyCIFKUNVOQFDKKT-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.42
Rot. Bonds3

About N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide

N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 107436807) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID107436807
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C9H13N5O3/c1-2-10-8(16)7-13-9(17-14-7)5-3-12-6(15)4-11-5/h5,11H,2-4H2,1H3,(H,10,16)(H,12,15)
InChIKeyCIFKUNVOQFDKKT-UHFFFAOYSA-N
XLogP-1.42
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102791161
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436079
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-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436719
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436463
5-(2-aminocyclopentyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791399
N-[2-(ethylsulfamoyl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971124
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231
5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 106812946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide (CID 107436807) is N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(C2CNC(=O)CN2)n1.
What is the InChIKey of N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CIFKUNVOQFDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-2-10-8(16)7-13-9(17-14-7)5-3-12-6(15)4-11-5/h5,11H,2-4H2,1H3,(H,10,16)(H,12,15).
What are the key properties of N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 239.23 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 107436807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).