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

C15H17FN2O3 — CID 79481221

IUPACethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)C(c1ccc(F)cc1)c1nc(C(C)C)no1
InChIInChI=1S/C15H17FN2O3/c1-4-20-15(19)12(10-5-7-11(16)8-6-10)14-17-13(9(2)3)18-21-14/h5-9,12H,4H2,1-3H3
InChIKeyBXWVBFFVCGNMAR-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.03
Rot. Bonds5

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

ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 79481221) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID79481221
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)C(c1ccc(F)cc1)c1nc(C(C)C)no1
InChIInChI=1S/C15H17FN2O3/c1-4-20-15(19)12(10-5-7-11(16)8-6-10)14-17-13(9(2)3)18-21-14/h5-9,12H,4H2,1-3H3
InChIKeyBXWVBFFVCGNMAR-UHFFFAOYSA-N
XLogP3.03
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate (CID 79481221) is ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate is CCOC(=O)C(c1ccc(F)cc1)c1nc(C(C)C)no1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is BXWVBFFVCGNMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-20-15(19)12(10-5-7-11(16)8-6-10)14-17-13(9(2)3)18-21-14/h5-9,12H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate?
ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 292.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 79481221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).