5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one

C8H14N2O3 — CID 130992051

IUPAC5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)c1nn(CCO)c(=O)o1
InChIInChI=1S/C8H14N2O3/c1-8(2,3)6-9-10(4-5-11)7(12)13-6/h11H,4-5H2,1-3H3
InChIKeyIULGUISJIWWKRV-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.13
Rot. Bonds2

About 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one

5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one (PubChem CID 130992051) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one
PubChem CID130992051
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)c1nn(CCO)c(=O)o1
InChIInChI=1S/C8H14N2O3/c1-8(2,3)6-9-10(4-5-11)7(12)13-6/h11H,4-5H2,1-3H3
InChIKeyIULGUISJIWWKRV-UHFFFAOYSA-N
XLogP0.13
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one (CID 130992051) is 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one is CC(C)(C)c1nn(CCO)c(=O)o1.
What is the InChIKey of 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is IULGUISJIWWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2,3)6-9-10(4-5-11)7(12)13-6/h11H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one?
5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 186.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 130992051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).