3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole

C12H15N3O3 — CID 75484402

IUPAC3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(COc2cccnc2C)n1
InChIInChI=1S/C12H15N3O3/c1-9-10(4-3-6-13-9)17-8-12-14-11(15-18-12)5-7-16-2/h3-4,6H,5,7-8H2,1-2H3
InChIKeyIJAIZZKHFOYAOA-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.54
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 75484402) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
PubChem CID75484402
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(COc2cccnc2C)n1
InChIInChI=1S/C12H15N3O3/c1-9-10(4-3-6-13-9)17-8-12-14-11(15-18-12)5-7-16-2/h3-4,6H,5,7-8H2,1-2H3
InChIKeyIJAIZZKHFOYAOA-UHFFFAOYSA-N
XLogP1.54
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908
N-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 120893530
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495181
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350060
[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005
3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole
CID 167877135
N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide
CID 53056055

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole (CID 75484402) is 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole is COCCc1noc(COc2cccnc2C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is IJAIZZKHFOYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-9-10(4-3-6-13-9)17-8-12-14-11(15-18-12)5-7-16-2/h3-4,6H,5,7-8H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 249.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[(2-methyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75484402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).