(1-ethylimidazol-2-yl)-(oxan-3-yl)methanol

C11H18N2O2 — CID 63976887

IUPAC(1-ethylimidazol-2-yl)-(oxan-3-yl)methanol
SMILESCCn1ccnc1C(O)C1CCCOC1
InChIInChI=1S/C11H18N2O2/c1-2-13-6-5-12-11(13)10(14)9-4-3-7-15-8-9/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyDZDDARWLXGILOK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol

(1-ethylimidazol-2-yl)-(oxan-3-yl)methanol (PubChem CID 63976887) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(oxan-3-yl)methanol
PubChem CID63976887
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1-ethylimidazol-2-yl)-(oxan-3-yl)methanol
SMILESCCn1ccnc1C(O)C1CCCOC1
InChIInChI=1S/C11H18N2O2/c1-2-13-6-5-12-11(13)10(14)9-4-3-7-15-8-9/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyDZDDARWLXGILOK-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol 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 (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol (CID 63976887) is (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol is CCn1ccnc1C(O)C1CCCOC1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol?
The InChIKey is DZDDARWLXGILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-13-6-5-12-11(13)10(14)9-4-3-7-15-8-9/h5-6,9-10,14H,2-4,7-8H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol?
(1-ethylimidazol-2-yl)-(oxan-3-yl)methanol has a molecular weight of 210.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(oxan-3-yl)methanol is sourced from PubChem (CID 63976887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).