5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole

C12H22N2O2 — CID 129260275

IUPAC5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole
SMILESCCCCC(CCC)c1noc(COC)n1
InChIInChI=1S/C12H22N2O2/c1-4-6-8-10(7-5-2)12-13-11(9-15-3)16-14-12/h10H,4-9H2,1-3H3
InChIKeyMOJVKKFEQGFQAD-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.29
Rot. Bonds8

About 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole

5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole (PubChem CID 129260275) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole
PubChem CID129260275
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole
SMILESCCCCC(CCC)c1noc(COC)n1
InChIInChI=1S/C12H22N2O2/c1-4-6-8-10(7-5-2)12-13-11(9-15-3)16-14-12/h10H,4-9H2,1-3H3
InChIKeyMOJVKKFEQGFQAD-UHFFFAOYSA-N
XLogP3.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole (CID 129260275) is 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole is CCCCC(CCC)c1noc(COC)n1.
What is the InChIKey of 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole?
The InChIKey is MOJVKKFEQGFQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-8-10(7-5-2)12-13-11(9-15-3)16-14-12/h10H,4-9H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole?
5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole has a molecular weight of 226.32 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-octan-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 129260275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).