3-(5-methyloxan-2-yl)-1,2,4-oxadiazole

C8H12N2O2 — CID 121461958

IUPAC3-(5-methyloxan-2-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2ncon2)OC1
InChIInChI=1S/C8H12N2O2/c1-6-2-3-7(11-4-6)8-9-5-12-10-8/h5-7H,2-4H2,1H3
InChIKeyYZIDKSSHXYSVTK-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.56
Rot. Bonds1

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

3-(5-methyloxan-2-yl)-1,2,4-oxadiazole (PubChem CID 121461958) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methyloxan-2-yl)-1,2,4-oxadiazole
PubChem CID121461958
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(5-methyloxan-2-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2ncon2)OC1
InChIInChI=1S/C8H12N2O2/c1-6-2-3-7(11-4-6)8-9-5-12-10-8/h5-7H,2-4H2,1H3
InChIKeyYZIDKSSHXYSVTK-UHFFFAOYSA-N
XLogP1.56
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole (CID 121461958) is 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole is CC1CCC(c2ncon2)OC1.
What is the InChIKey of 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole?
The InChIKey is YZIDKSSHXYSVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-2-3-7(11-4-6)8-9-5-12-10-8/h5-7H,2-4H2,1H3.
What are the key properties of 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole?
3-(5-methyloxan-2-yl)-1,2,4-oxadiazole has a molecular weight of 168.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 121461958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).