ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate

C17H15N3O4 — CID 69206475

IUPACethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1nonc1Cc1ccccc1
InChIInChI=1S/C17H15N3O4/c1-2-22-17(21)13-9-6-10-18-15(13)23-16-14(19-24-20-16)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyXABHNISLELPIDL-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.02
Rot. Bonds6

About ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate

ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate (PubChem CID 69206475) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate
PubChem CID69206475
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Nameethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1nonc1Cc1ccccc1
InChIInChI=1S/C17H15N3O4/c1-2-22-17(21)13-9-6-10-18-15(13)23-16-14(19-24-20-16)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyXABHNISLELPIDL-UHFFFAOYSA-N
XLogP3.02
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 10846916
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ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
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2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
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ethyl 2-chloroselanylpyridine-3-carboxylate
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ethyl 2-(azetidin-3-yloxy)pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate (CID 69206475) is ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1nonc1Cc1ccccc1.
What is the InChIKey of ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate?
The InChIKey is XABHNISLELPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-22-17(21)13-9-6-10-18-15(13)23-16-14(19-24-20-16)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate?
ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate is sourced from PubChem (CID 69206475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).