(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol

C10H16N2O2 — CID 66132890

IUPAC(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol
SMILESCCn1cncc1C(O)C1CCOC1
InChIInChI=1S/C10H16N2O2/c1-2-12-7-11-5-9(12)10(13)8-3-4-14-6-8/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyYGIHSMFEAHLQPD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds3

About (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol

(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol (PubChem CID 66132890) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol
PubChem CID66132890
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol
SMILESCCn1cncc1C(O)C1CCOC1
InChIInChI=1S/C10H16N2O2/c1-2-12-7-11-5-9(12)10(13)8-3-4-14-6-8/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyYGIHSMFEAHLQPD-UHFFFAOYSA-N
XLogP0.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethylimidazol-4-yl)-(oxolan-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 (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol (CID 66132890) is (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol is CCn1cncc1C(O)C1CCOC1.
What is the InChIKey of (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol?
The InChIKey is YGIHSMFEAHLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-12-7-11-5-9(12)10(13)8-3-4-14-6-8/h5,7-8,10,13H,2-4,6H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol?
(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 66132890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).