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

C6H10N2O2 — CID 90327637

IUPAC5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole
SMILESCOC(C)c1nc(C)no1
InChIInChI=1S/C6H10N2O2/c1-4(9-3)6-7-5(2)8-10-6/h4H,1-3H3
InChIKeyNHRDGFODQDWYLB-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.09
Rot. Bonds2

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

5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 90327637) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole
PubChem CID90327637
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole
SMILESCOC(C)c1nc(C)no1
InChIInChI=1S/C6H10N2O2/c1-4(9-3)6-7-5(2)8-10-6/h4H,1-3H3
InChIKeyNHRDGFODQDWYLB-UHFFFAOYSA-N
XLogP1.09
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole (CID 90327637) is 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole is COC(C)c1nc(C)no1.
What is the InChIKey of 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is NHRDGFODQDWYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(9-3)6-7-5(2)8-10-6/h4H,1-3H3.
What are the key properties of 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole?
5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 142.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 90327637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).