3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol

C11H18N2O3 — CID 106474029

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
SMILESCC(C)(C)c1noc(C2COCCC2O)n1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)10-12-9(16-13-10)7-6-15-5-4-8(7)14/h7-8,14H,4-6H2,1-3H3
InChIKeyQJXPZLCFXZBVCK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.23
Rot. Bonds1

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol (PubChem CID 106474029) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
PubChem CID106474029
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
SMILESCC(C)(C)c1noc(C2COCCC2O)n1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)10-12-9(16-13-10)7-6-15-5-4-8(7)14/h7-8,14H,4-6H2,1-3H3
InChIKeyQJXPZLCFXZBVCK-UHFFFAOYSA-N
XLogP1.23
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol (CID 106474029) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol is CC(C)(C)c1noc(C2COCCC2O)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol?
The InChIKey is QJXPZLCFXZBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)10-12-9(16-13-10)7-6-15-5-4-8(7)14/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol has a molecular weight of 226.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol is sourced from PubChem (CID 106474029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).