3-(propan-2-yloxymethyl)-1,2,4-oxadiazole

C6H10N2O2 — CID 58326693

IUPAC3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(C)OCc1ncon1
InChIInChI=1S/C6H10N2O2/c1-5(2)9-3-6-7-4-10-8-6/h4-5H,3H2,1-2H3
InChIKeyYCCURJHXHRHWPD-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.99
Rot. Bonds3

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

3-(propan-2-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 58326693) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
PubChem CID58326693
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(C)OCc1ncon1
InChIInChI=1S/C6H10N2O2/c1-5(2)9-3-6-7-4-10-8-6/h4-5H,3H2,1-2H3
InChIKeyYCCURJHXHRHWPD-UHFFFAOYSA-N
XLogP0.99
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole (CID 58326693) is 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole is CC(C)OCc1ncon1.
What is the InChIKey of 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is YCCURJHXHRHWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(2)9-3-6-7-4-10-8-6/h4-5H,3H2,1-2H3.
What are the key properties of 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
3-(propan-2-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 142.16 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 58326693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).