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

C13H13FN2O3 — CID 79475460

IUPACethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)C(c1cccc(F)c1)c1nc(C)no1
InChIInChI=1S/C13H13FN2O3/c1-3-18-13(17)11(12-15-8(2)16-19-12)9-5-4-6-10(14)7-9/h4-7,11H,3H2,1-2H3
InChIKeyAFPSDUOHKBGRMV-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.21
Rot. Bonds4

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

ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 79475460) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID79475460
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)C(c1cccc(F)c1)c1nc(C)no1
InChIInChI=1S/C13H13FN2O3/c1-3-18-13(17)11(12-15-8(2)16-19-12)9-5-4-6-10(14)7-9/h4-7,11H,3H2,1-2H3
InChIKeyAFPSDUOHKBGRMV-UHFFFAOYSA-N
XLogP2.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate (CID 79475460) is ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate is CCOC(=O)C(c1cccc(F)c1)c1nc(C)no1.
What is the InChIKey of ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is AFPSDUOHKBGRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-3-18-13(17)11(12-15-8(2)16-19-12)9-5-4-6-10(14)7-9/h4-7,11H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 264.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 79475460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).