4-(1-propylimidazol-2-yl)oxan-4-ol

C11H18N2O2 — CID 63975845

IUPAC4-(1-propylimidazol-2-yl)oxan-4-ol
SMILESCCCn1ccnc1C1(O)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-2-6-13-7-5-12-10(13)11(14)3-8-15-9-4-11/h5,7,14H,2-4,6,8-9H2,1H3
InChIKeySKROICWNRGVEOI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.29
Rot. Bonds3

About 4-(1-propylimidazol-2-yl)oxan-4-ol

4-(1-propylimidazol-2-yl)oxan-4-ol (PubChem CID 63975845) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(1-propylimidazol-2-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(1-propylimidazol-2-yl)oxan-4-ol
PubChem CID63975845
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(1-propylimidazol-2-yl)oxan-4-ol
SMILESCCCn1ccnc1C1(O)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-2-6-13-7-5-12-10(13)11(14)3-8-15-9-4-11/h5,7,14H,2-4,6,8-9H2,1H3
InChIKeySKROICWNRGVEOI-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-propylimidazol-2-yl)oxan-4-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-(1-propylimidazol-2-yl)oxan-4-ol?
The IUPAC name of 4-(1-propylimidazol-2-yl)oxan-4-ol (CID 63975845) is 4-(1-propylimidazol-2-yl)oxan-4-ol.
What is the SMILES notation for 4-(1-propylimidazol-2-yl)oxan-4-ol?
The canonical SMILES for 4-(1-propylimidazol-2-yl)oxan-4-ol is CCCn1ccnc1C1(O)CCOCC1.
What is the InChIKey of 4-(1-propylimidazol-2-yl)oxan-4-ol?
The InChIKey is SKROICWNRGVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-6-13-7-5-12-10(13)11(14)3-8-15-9-4-11/h5,7,14H,2-4,6,8-9H2,1H3.
What are the key properties of 4-(1-propylimidazol-2-yl)oxan-4-ol?
4-(1-propylimidazol-2-yl)oxan-4-ol has a molecular weight of 210.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylimidazol-2-yl)oxan-4-ol is sourced from PubChem (CID 63975845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).