ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate

C13H14N2O4 — CID 63379365

IUPACethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCOc2ccccc2)n1
InChIInChI=1S/C13H14N2O4/c1-2-17-13(16)12-14-11(19-15-12)8-9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQJNMBEZOSJSPPE-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.87
Rot. Bonds6

About ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 63379365) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID63379365
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Nameethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCOc2ccccc2)n1
InChIInChI=1S/C13H14N2O4/c1-2-17-13(16)12-14-11(19-15-12)8-9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQJNMBEZOSJSPPE-UHFFFAOYSA-N
XLogP1.87
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate (CID 63379365) is ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(CCOc2ccccc2)n1.
What is the InChIKey of ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is QJNMBEZOSJSPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-17-13(16)12-14-11(19-15-12)8-9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 63379365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).