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

C14H15BrN2O3 — CID 79474505

IUPACethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)C(c1nc(CC)no1)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O3/c1-3-11-16-13(20-17-11)12(14(18)19-4-2)9-7-5-6-8-10(9)15/h5-8,12H,3-4H2,1-2H3
InChIKeyGRLXSFYFAQVHQM-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.09
Rot. Bonds5

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

ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 79474505) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID79474505
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Nameethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)C(c1nc(CC)no1)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O3/c1-3-11-16-13(20-17-11)12(14(18)19-4-2)9-7-5-6-8-10(9)15/h5-8,12H,3-4H2,1-2H3
InChIKeyGRLXSFYFAQVHQM-UHFFFAOYSA-N
XLogP3.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate (CID 79474505) is ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate is CCOC(=O)C(c1nc(CC)no1)c1ccccc1Br.
What is the InChIKey of ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is GRLXSFYFAQVHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-11-16-13(20-17-11)12(14(18)19-4-2)9-7-5-6-8-10(9)15/h5-8,12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate?
ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 339.19 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 79474505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).