4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol

C10H16N2O2 — CID 126854499

IUPAC4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol
SMILESCC(C)c1nccn1C1COCC1O
InChIInChI=1S/C10H16N2O2/c1-7(2)10-11-3-4-12(10)8-5-14-6-9(8)13/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyKUACLYJQEWHOFB-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.94
Rot. Bonds2

About 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol

4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol (PubChem CID 126854499) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol
PubChem CID126854499
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol
SMILESCC(C)c1nccn1C1COCC1O
InChIInChI=1S/C10H16N2O2/c1-7(2)10-11-3-4-12(10)8-5-14-6-9(8)13/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyKUACLYJQEWHOFB-UHFFFAOYSA-N
XLogP0.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol 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 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol?
The IUPAC name of 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol (CID 126854499) is 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol.
What is the SMILES notation for 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol?
The canonical SMILES for 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol is CC(C)c1nccn1C1COCC1O.
What is the InChIKey of 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol?
The InChIKey is KUACLYJQEWHOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)10-11-3-4-12(10)8-5-14-6-9(8)13/h3-4,7-9,13H,5-6H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol?
4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol has a molecular weight of 196.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylimidazol-1-yl)oxolan-3-ol is sourced from PubChem (CID 126854499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).