ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate

C16H13N3O4 — CID 31535631

IUPACethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)nc1
InChIInChI=1S/C16H13N3O4/c1-2-21-16(20)12-5-8-14(17-9-12)23-13-6-3-11(4-7-13)15-19-18-10-22-15/h3-10H,2H2,1H3
InChIKeyALZPFMZKNRMQDS-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.10
Rot. Bonds5

About ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate

ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate (PubChem CID 31535631) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
PubChem CID31535631
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Nameethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)nc1
InChIInChI=1S/C16H13N3O4/c1-2-21-16(20)12-5-8-14(17-9-12)23-13-6-3-11(4-7-13)15-19-18-10-22-15/h3-10H,2H2,1H3
InChIKeyALZPFMZKNRMQDS-UHFFFAOYSA-N
XLogP3.10
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
[4-(1,3,4-oxadiazol-2-yl)phenyl] 6-(dimethylamino)pyridine-3-carboxylate
CID 39489515
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate
CID 7555934
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate (CID 31535631) is ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)nc1.
What is the InChIKey of ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate?
The InChIKey is ALZPFMZKNRMQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-2-21-16(20)12-5-8-14(17-9-12)23-13-6-3-11(4-7-13)15-19-18-10-22-15/h3-10H,2H2,1H3.
What are the key properties of ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate?
ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 31535631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).