5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane

C10H15N3O3 — CID 138039399

IUPAC5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESCOCc1noc(C2CNCC23COC3)n1
InChIInChI=1S/C10H15N3O3/c1-14-3-8-12-9(16-13-8)7-2-11-4-10(7)5-15-6-10/h7,11H,2-6H2,1H3
InChIKeyWTAVBQPCMGUCSB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.08
Rot. Bonds3

About 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane

5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 138039399) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane
PubChem CID138039399
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESCOCc1noc(C2CNCC23COC3)n1
InChIInChI=1S/C10H15N3O3/c1-14-3-8-12-9(16-13-8)7-2-11-4-10(7)5-15-6-10/h7,11H,2-6H2,1H3
InChIKeyWTAVBQPCMGUCSB-UHFFFAOYSA-N
XLogP-0.08
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane (CID 138039399) is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane is COCc1noc(C2CNCC23COC3)n1.
What is the InChIKey of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is WTAVBQPCMGUCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-14-3-8-12-9(16-13-8)7-2-11-4-10(7)5-15-6-10/h7,11H,2-6H2,1H3.
What are the key properties of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane?
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 225.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 138039399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).