ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate

C16H23N5O4 — CID 59909392

IUPACethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate
SMILESCCOC(=O)[C@H](CC)n1ccnc(NCCCc2nc(C)no2)c1=O
InChIInChI=1S/C16H23N5O4/c1-4-12(16(23)24-5-2)21-10-9-18-14(15(21)22)17-8-6-7-13-19-11(3)20-25-13/h9-10,12H,4-8H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyWDZGINPMCXDSGF-LBPRGKRZSA-N
MW349.39 g/mol
LogP1.49
Rot. Bonds9

About ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate

ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate (PubChem CID 59909392) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate
PubChem CID59909392
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Nameethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate
SMILESCCOC(=O)[C@H](CC)n1ccnc(NCCCc2nc(C)no2)c1=O
InChIInChI=1S/C16H23N5O4/c1-4-12(16(23)24-5-2)21-10-9-18-14(15(21)22)17-8-6-7-13-19-11(3)20-25-13/h9-10,12H,4-8H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyWDZGINPMCXDSGF-LBPRGKRZSA-N
XLogP1.49
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969698
[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
ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
CID 101332426
ethyl (2R)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
CID 101332425
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205
1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one
CID 22969718
N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
CID 106337202
ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939727
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
(2S,3S)-3-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193842

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate?
The IUPAC name of ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate (CID 59909392) is ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate.
What is the SMILES notation for ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate?
The canonical SMILES for ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate is CCOC(=O)[C@H](CC)n1ccnc(NCCCc2nc(C)no2)c1=O.
What is the InChIKey of ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate?
The InChIKey is WDZGINPMCXDSGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-4-12(16(23)24-5-2)21-10-9-18-14(15(21)22)17-8-6-7-13-19-11(3)20-25-13/h9-10,12H,4-8H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate?
ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate has a molecular weight of 349.39 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-2-oxopyrazin-1-yl]butanoate is sourced from PubChem (CID 59909392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).