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

C10H16N2O3 — CID 75420782

IUPAC5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(C)OCc1noc(C2CCOC2)n1
InChIInChI=1S/C10H16N2O3/c1-7(2)14-6-9-11-10(15-12-9)8-3-4-13-5-8/h7-8H,3-6H2,1-2H3
InChIKeyZFOJVCSTLOHZRT-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.50
Rot. Bonds4

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

5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 75420782) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
PubChem CID75420782
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(C)OCc1noc(C2CCOC2)n1
InChIInChI=1S/C10H16N2O3/c1-7(2)14-6-9-11-10(15-12-9)8-3-4-13-5-8/h7-8H,3-6H2,1-2H3
InChIKeyZFOJVCSTLOHZRT-UHFFFAOYSA-N
XLogP1.50
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole (CID 75420782) is 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole is CC(C)OCc1noc(C2CCOC2)n1.
What is the InChIKey of 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is ZFOJVCSTLOHZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)14-6-9-11-10(15-12-9)8-3-4-13-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 212.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75420782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).