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

C14H15FN2O3 — CID 79475059

IUPACethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(c1cccc(F)c1)c1nc(CC)no1
InChIInChI=1S/C14H15FN2O3/c1-3-11-16-13(20-17-11)12(14(18)19-4-2)9-6-5-7-10(15)8-9/h5-8,12H,3-4H2,1-2H3
InChIKeyIMXAWPVINXZUCI-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.47
Rot. Bonds5

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

ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate (PubChem CID 79475059) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate
PubChem CID79475059
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Nameethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(c1cccc(F)c1)c1nc(CC)no1
InChIInChI=1S/C14H15FN2O3/c1-3-11-16-13(20-17-11)12(14(18)19-4-2)9-6-5-7-10(15)8-9/h5-8,12H,3-4H2,1-2H3
InChIKeyIMXAWPVINXZUCI-UHFFFAOYSA-N
XLogP2.47
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate (CID 79475059) is ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate is CCOC(=O)C(c1cccc(F)c1)c1nc(CC)no1.
What is the InChIKey of ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate?
The InChIKey is IMXAWPVINXZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-11-16-13(20-17-11)12(14(18)19-4-2)9-6-5-7-10(15)8-9/h5-8,12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate?
ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate has a molecular weight of 278.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 79475059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).