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

C12H18N2O3 — CID 119163349

IUPAC5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESC1CCC(Cc2nc(C3CCOC3)no2)OC1
InChIInChI=1S/C12H18N2O3/c1-2-5-16-10(3-1)7-11-13-12(14-17-11)9-4-6-15-8-9/h9-10H,1-8H2
InChIKeyVOGNGRMCFHXQCL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.69
Rot. Bonds3

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

5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 119163349) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID119163349
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESC1CCC(Cc2nc(C3CCOC3)no2)OC1
InChIInChI=1S/C12H18N2O3/c1-2-5-16-10(3-1)7-11-13-12(14-17-11)9-4-6-15-8-9/h9-10H,1-8H2
InChIKeyVOGNGRMCFHXQCL-UHFFFAOYSA-N
XLogP1.69
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 119163349) is 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is C1CCC(Cc2nc(C3CCOC3)no2)OC1.
What is the InChIKey of 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is VOGNGRMCFHXQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-5-16-10(3-1)7-11-13-12(14-17-11)9-4-6-15-8-9/h9-10H,1-8H2.
What are the key properties of 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 238.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 119163349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).