1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate

C20H19N3O5 — CID 46545372

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OC(C)c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C20H19N3O5/c1-13(24)15-5-7-17(8-6-15)26-11-9-18(25)27-14(2)20-22-19(23-28-20)16-4-3-10-21-12-16/h3-8,10,12,14H,9,11H2,1-2H3
InChIKeyMQGARKSCJIXXPE-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.41
Rot. Bonds8

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate (PubChem CID 46545372) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate
PubChem CID46545372
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OC(C)c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C20H19N3O5/c1-13(24)15-5-7-17(8-6-15)26-11-9-18(25)27-14(2)20-22-19(23-28-20)16-4-3-10-21-12-16/h3-8,10,12,14H,9,11H2,1-2H3
InChIKeyMQGARKSCJIXXPE-UHFFFAOYSA-N
XLogP3.41
TPSA104.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55562582
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-bromophenyl)acetate
CID 46548702
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2-oxochromen-7-yl)oxyacetate
CID 55487975
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 46544490
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2,4-dichlorophenyl)acetate
CID 55547011
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
CID 46544316
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate
CID 46543933
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 55546738
[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55939073
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
CID 46688253

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate (CID 46545372) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate is CC(=O)c1ccc(OCCC(=O)OC(C)c2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate?
The InChIKey is MQGARKSCJIXXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-13(24)15-5-7-17(8-6-15)26-11-9-18(25)27-14(2)20-22-19(23-28-20)16-4-3-10-21-12-16/h3-8,10,12,14H,9,11H2,1-2H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate has a molecular weight of 381.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate is sourced from PubChem (CID 46545372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).