ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate

C16H20N4O4 — CID 134024394

IUPACethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
SMILESCCOC(=O)CCCNC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C16H20N4O4/c1-2-23-15(22)4-3-9-18-13(21)5-6-14-19-16(20-24-14)12-7-10-17-11-8-12/h7-8,10-11H,2-6,9H2,1H3,(H,18,21)
InChIKeyLYMZGTXNHOMANY-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.52
Rot. Bonds9

About ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate

ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate (PubChem CID 134024394) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
PubChem CID134024394
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Nameethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
SMILESCCOC(=O)CCCNC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C16H20N4O4/c1-2-23-15(22)4-3-9-18-13(21)5-6-14-19-16(20-24-14)12-7-10-17-11-8-12/h7-8,10-11H,2-6,9H2,1H3,(H,18,21)
InChIKeyLYMZGTXNHOMANY-UHFFFAOYSA-N
XLogP1.52
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
N-[2-(4-fluorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30210952
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethoxypropyl)propanamide
CID 100759815
N-(3-ethoxypropyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94882682
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-butylpropanamide
CID 99722466
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46697653
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
The IUPAC name of ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate (CID 134024394) is ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate.
What is the SMILES notation for ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
The canonical SMILES for ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate is CCOC(=O)CCCNC(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
The InChIKey is LYMZGTXNHOMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-2-23-15(22)4-3-9-18-13(21)5-6-14-19-16(20-24-14)12-7-10-17-11-8-12/h7-8,10-11H,2-6,9H2,1H3,(H,18,21).
What are the key properties of ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate has a molecular weight of 332.36 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate is sourced from PubChem (CID 134024394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).