3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one

C15H21N5O3 — CID 22969698

IUPAC3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCCc2nc(C)no2)c1=O
InChIInChI=1S/C15H21N5O3/c1-4-12(10(2)21)20-9-8-17-14(15(20)22)16-7-5-6-13-18-11(3)19-23-13/h8-9,12H,4-7H2,1-3H3,(H,16,17)
InChIKeyCAQIOBXMYPLKCV-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.52
Rot. Bonds8

About 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one

3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (PubChem CID 22969698) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
PubChem CID22969698
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCCc2nc(C)no2)c1=O
InChIInChI=1S/C15H21N5O3/c1-4-12(10(2)21)20-9-8-17-14(15(20)22)16-7-5-6-13-18-11(3)19-23-13/h8-9,12H,4-7H2,1-3H3,(H,16,17)
InChIKeyCAQIOBXMYPLKCV-UHFFFAOYSA-N
XLogP1.52
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate
CID 59909392
1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one
CID 22969718
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969753
[N-ethanimidoyl-C-[3-[[4-[(2S)-1-ethoxy-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]propyl]carbonimidoyl]oxidanium
CID 142039106
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
CID 106337202
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
CID 115889350
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
CID 115887438
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685485

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The IUPAC name of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (CID 22969698) is 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one.
What is the SMILES notation for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The canonical SMILES for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is CCC(C(C)=O)n1ccnc(NCCCc2nc(C)no2)c1=O.
What is the InChIKey of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The InChIKey is CAQIOBXMYPLKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-4-12(10(2)21)20-9-8-17-14(15(20)22)16-7-5-6-13-18-11(3)19-23-13/h8-9,12H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one has a molecular weight of 319.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 22969698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).