ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate

C13H13FN2O3 — CID 21098323

IUPACethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate
SMILESCCOC(=O)Cc1noc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2O3/c1-2-18-13(17)8-11-15-12(19-16-11)7-9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyUBDXBRQLZXYEEZ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.91
Rot. Bonds5

About ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate

ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate (PubChem CID 21098323) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate
PubChem CID21098323
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate
SMILESCCOC(=O)Cc1noc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2O3/c1-2-18-13(17)8-11-15-12(19-16-11)7-9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyUBDXBRQLZXYEEZ-UHFFFAOYSA-N
XLogP1.91
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate (CID 21098323) is ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate is CCOC(=O)Cc1noc(Cc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate?
The InChIKey is UBDXBRQLZXYEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-18-13(17)8-11-15-12(19-16-11)7-9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate?
ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate has a molecular weight of 264.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetate is sourced from PubChem (CID 21098323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).