5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole

C6H10N2O3 — CID 129099268

IUPAC5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole
SMILESCOCCOc1nc(C)no1
InChIInChI=1S/C6H10N2O3/c1-5-7-6(11-8-5)10-4-3-9-2/h3-4H2,1-2H3
InChIKeyVXDATOZCCUALPM-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.40
Rot. Bonds4

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

5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole (PubChem CID 129099268) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole
PubChem CID129099268
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole
SMILESCOCCOc1nc(C)no1
InChIInChI=1S/C6H10N2O3/c1-5-7-6(11-8-5)10-4-3-9-2/h3-4H2,1-2H3
InChIKeyVXDATOZCCUALPM-UHFFFAOYSA-N
XLogP0.40
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole (CID 129099268) is 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole is COCCOc1nc(C)no1.
What is the InChIKey of 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole?
The InChIKey is VXDATOZCCUALPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-5-7-6(11-8-5)10-4-3-9-2/h3-4H2,1-2H3.
What are the key properties of 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole?
5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole has a molecular weight of 158.16 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129099268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).