ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate

C16H18N2O3 — CID 79482100

IUPACethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1nc(C2CC2C)no1
InChIInChI=1S/C16H18N2O3/c1-3-20-16(19)13(11-7-5-4-6-8-11)15-17-14(18-21-15)12-9-10(12)2/h4-8,10,12-13H,3,9H2,1-2H3
InChIKeyGFNZFDMLOKZKLN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate

ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate (PubChem CID 79482100) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate
PubChem CID79482100
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1nc(C2CC2C)no1
InChIInChI=1S/C16H18N2O3/c1-3-20-16(19)13(11-7-5-4-6-8-11)15-17-14(18-21-15)12-9-10(12)2/h4-8,10,12-13H,3,9H2,1-2H3
InChIKeyGFNZFDMLOKZKLN-UHFFFAOYSA-N
XLogP2.89
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145004
ethyl 2-(4-bromophenyl)-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481870
ethyl 2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79474682
ethyl 5-[(S)-amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 104898772
ethyl 2-(2-bromophenyl)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474505
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 3-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481673
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898627
3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539976
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate
CID 106677030
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate?
The IUPAC name of ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate (CID 79482100) is ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate?
The canonical SMILES for ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate is CCOC(=O)C(c1ccccc1)c1nc(C2CC2C)no1.
What is the InChIKey of ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate?
The InChIKey is GFNZFDMLOKZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-20-16(19)13(11-7-5-4-6-8-11)15-17-14(18-21-15)12-9-10(12)2/h4-8,10,12-13H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate?
ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate has a molecular weight of 286.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylacetate is sourced from PubChem (CID 79482100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).