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

C13H22N2O2 — CID 66131435

IUPAC3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol
SMILESCCCn1cncc1C(O)CCC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-2-7-15-10-14-9-12(15)13(16)6-5-11-4-3-8-17-11/h9-11,13,16H,2-8H2,1H3
InChIKeyHDFJSWXTKPSVRD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.29
Rot. Bonds6

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

3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol (PubChem CID 66131435) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol
PubChem CID66131435
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol
SMILESCCCn1cncc1C(O)CCC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-2-7-15-10-14-9-12(15)13(16)6-5-11-4-3-8-17-11/h9-11,13,16H,2-8H2,1H3
InChIKeyHDFJSWXTKPSVRD-UHFFFAOYSA-N
XLogP2.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-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 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol (CID 66131435) is 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol is CCCn1cncc1C(O)CCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol?
The InChIKey is HDFJSWXTKPSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-7-15-10-14-9-12(15)13(16)6-5-11-4-3-8-17-11/h9-11,13,16H,2-8H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol?
3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(3-propylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 66131435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).