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

C12H11FN2O4 — CID 2468245

IUPACethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C12H11FN2O4/c1-2-18-10(16)7-15-12(17)19-11(14-15)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChIKeyQYCDXYOCOYXDDQ-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.21
Rot. Bonds4

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

ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (PubChem CID 2468245) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
PubChem CID2468245
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Nameethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C12H11FN2O4/c1-2-18-10(16)7-15-12(17)19-11(14-15)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChIKeyQYCDXYOCOYXDDQ-UHFFFAOYSA-N
XLogP1.21
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (CID 2468245) is ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is CCOC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The InChIKey is QYCDXYOCOYXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c1-2-18-10(16)7-15-12(17)19-11(14-15)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate has a molecular weight of 266.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is sourced from PubChem (CID 2468245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).