2-(oxan-4-yl)-1,3,4-oxadiazole

C7H10N2O2 — CID 99770579

IUPAC2-(oxan-4-yl)-1,3,4-oxadiazole
SMILESc1nnc(C2CCOCC2)o1
InChIInChI=1S/C7H10N2O2/c1-3-10-4-2-6(1)7-9-8-5-11-7/h5-6H,1-4H2
InChIKeyNXOLVIQJOQRFPS-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.96
Rot. Bonds1

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

2-(oxan-4-yl)-1,3,4-oxadiazole (PubChem CID 99770579) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxan-4-yl)-1,3,4-oxadiazole
PubChem CID99770579
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(oxan-4-yl)-1,3,4-oxadiazole
SMILESc1nnc(C2CCOCC2)o1
InChIInChI=1S/C7H10N2O2/c1-3-10-4-2-6(1)7-9-8-5-11-7/h5-6H,1-4H2
InChIKeyNXOLVIQJOQRFPS-UHFFFAOYSA-N
XLogP0.96
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(oxan-4-yl)-1,3,4-oxadiazole (CID 99770579) is 2-(oxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxan-4-yl)-1,3,4-oxadiazole is c1nnc(C2CCOCC2)o1.
What is the InChIKey of 2-(oxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is NXOLVIQJOQRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-10-4-2-6(1)7-9-8-5-11-7/h5-6H,1-4H2.
What are the key properties of 2-(oxan-4-yl)-1,3,4-oxadiazole?
2-(oxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 154.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99770579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).