ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate

C14H17N3O3 — CID 79471489

IUPACethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1nc(Cc2ccccn2)no1
InChIInChI=1S/C14H17N3O3/c1-4-19-13(18)14(2,3)12-16-11(17-20-12)9-10-7-5-6-8-15-10/h5-8H,4,9H2,1-3H3
InChIKeyVIXJPYGACHGTNC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.90
Rot. Bonds5

About ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate

ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 79471489) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
PubChem CID79471489
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1nc(Cc2ccccn2)no1
InChIInChI=1S/C14H17N3O3/c1-4-19-13(18)14(2,3)12-16-11(17-20-12)9-10-7-5-6-8-15-10/h5-8H,4,9H2,1-3H3
InChIKeyVIXJPYGACHGTNC-UHFFFAOYSA-N
XLogP1.90
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79482945
ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474342
3,3-dimethyl-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62932852
ethyl 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472137
methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474343
diethyl 2-ethyl-2-(pyridin-2-ylmethyl)propanedioate
CID 103973006
ethyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472004
ethyl 2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79471494
ethyl acetate;2-pyridin-2-ylacetic acid
CID 70044808
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate
CID 174613279
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate (CID 79471489) is ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate is CCOC(=O)C(C)(C)c1nc(Cc2ccccn2)no1.
What is the InChIKey of ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate?
The InChIKey is VIXJPYGACHGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-19-13(18)14(2,3)12-16-11(17-20-12)9-10-7-5-6-8-15-10/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate?
ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 275.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 79471489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).