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

C8H12N2O3 — CID 126990027

IUPAC2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
SMILESCOCc1nnc(C2CCOC2)o1
InChIInChI=1S/C8H12N2O3/c1-11-5-7-9-10-8(13-7)6-2-3-12-4-6/h6H,2-5H2,1H3
InChIKeyAJRHSENKJBRUSU-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.72
Rot. Bonds3

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

2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole (PubChem CID 126990027) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
PubChem CID126990027
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
SMILESCOCc1nnc(C2CCOC2)o1
InChIInChI=1S/C8H12N2O3/c1-11-5-7-9-10-8(13-7)6-2-3-12-4-6/h6H,2-5H2,1H3
InChIKeyAJRHSENKJBRUSU-UHFFFAOYSA-N
XLogP0.72
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole (CID 126990027) is 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole is COCc1nnc(C2CCOC2)o1.
What is the InChIKey of 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole?
The InChIKey is AJRHSENKJBRUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-11-5-7-9-10-8(13-7)6-2-3-12-4-6/h6H,2-5H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole?
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole has a molecular weight of 184.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 126990027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).