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

C14H16N2O3 — CID 79474427

IUPACethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C14H16N2O3/c1-3-10-5-7-11(8-6-10)14-15-12(19-16-14)9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyOKQIUKGQRUIBIY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.40
Rot. Bonds5

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

ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79474427) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79474427
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C14H16N2O3/c1-3-10-5-7-11(8-6-10)14-15-12(19-16-14)9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyOKQIUKGQRUIBIY-UHFFFAOYSA-N
XLogP2.40
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
CID 47093633
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-3-methylbenzoate
CID 16611757
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenoxy)acetate
CID 8601377
ethyl 2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474664
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64673410
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8925308
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(methylamino)benzoate
CID 16611330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79474427) is ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(CC)cc2)no1.
What is the InChIKey of ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is OKQIUKGQRUIBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-10-5-7-11(8-6-10)14-15-12(19-16-14)9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 260.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79474427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).