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

C11H18N2O2 — CID 63345351

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
SMILESCC(C)(C)c1noc(CC(O)C2CC2)n1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)10-12-9(15-13-10)6-8(14)7-4-5-7/h7-8,14H,4-6H2,1-3H3
InChIKeyPBUBYPWBGQGKHP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.68
Rot. Bonds3

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

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol (PubChem CID 63345351) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
PubChem CID63345351
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
SMILESCC(C)(C)c1noc(CC(O)C2CC2)n1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)10-12-9(15-13-10)6-8(14)7-4-5-7/h7-8,14H,4-6H2,1-3H3
InChIKeyPBUBYPWBGQGKHP-UHFFFAOYSA-N
XLogP1.68
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol 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 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol (CID 63345351) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol is CC(C)(C)c1noc(CC(O)C2CC2)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol?
The InChIKey is PBUBYPWBGQGKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)10-12-9(15-13-10)6-8(14)7-4-5-7/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol has a molecular weight of 210.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol is sourced from PubChem (CID 63345351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).