5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole

C13H17N3O3 — CID 63839306

IUPAC5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H17N3O3/c1-4-17-13(18-5-2)12-15-11(16-19-12)10-8-9(3)6-7-14-10/h6-8,13H,4-5H2,1-3H3
InChIKeyPDEOBLHTJLALDF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.51
Rot. Bonds6

About 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole

5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 63839306) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID63839306
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H17N3O3/c1-4-17-13(18-5-2)12-15-11(16-19-12)10-8-9(3)6-7-14-10/h6-8,13H,4-5H2,1-3H3
InChIKeyPDEOBLHTJLALDF-UHFFFAOYSA-N
XLogP2.51
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole 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

1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63839212
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 106793354
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
5-(diethoxymethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 63773042
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63839886
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798166
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841054
5-(diethoxymethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65197961
N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841516

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 63839306) is 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is CCOC(OCC)c1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is PDEOBLHTJLALDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-17-13(18-5-2)12-15-11(16-19-12)10-8-9(3)6-7-14-10/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63839306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).