4-(1-ethylimidazol-4-yl)oxan-4-ol

C10H16N2O2 — CID 130508654

IUPAC4-(1-ethylimidazol-4-yl)oxan-4-ol
SMILESCCn1cnc(C2(O)CCOCC2)c1
InChIInChI=1S/C10H16N2O2/c1-2-12-7-9(11-8-12)10(13)3-5-14-6-4-10/h7-8,13H,2-6H2,1H3
InChIKeyRSFVCCQUIWXFPE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds2

About 4-(1-ethylimidazol-4-yl)oxan-4-ol

4-(1-ethylimidazol-4-yl)oxan-4-ol (PubChem CID 130508654) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(1-ethylimidazol-4-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(1-ethylimidazol-4-yl)oxan-4-ol
PubChem CID130508654
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(1-ethylimidazol-4-yl)oxan-4-ol
SMILESCCn1cnc(C2(O)CCOCC2)c1
InChIInChI=1S/C10H16N2O2/c1-2-12-7-9(11-8-12)10(13)3-5-14-6-4-10/h7-8,13H,2-6H2,1H3
InChIKeyRSFVCCQUIWXFPE-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylimidazol-4-yl)piperidin-3-ol
CID 130508658
4-[(1-ethylimidazol-4-yl)methyl]morpholine
CID 117191798
4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol
CID 10750905
4-(1-propylimidazol-2-yl)oxan-4-ol
CID 63975845
4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol
CID 130571239
1-ethyl-4-propan-2-ylimidazole
CID 10057571
(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
CID 126976704
1-ethylimidazol-4-amine
CID 53403306
4-(4-ethylphenyl)oxan-4-ol
CID 63222829
4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
CID 79372670
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
4-[6-(methylamino)-2-pyridinyl]oxan-4-ol
CID 174613932

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-4-yl)oxan-4-ol?
The IUPAC name of 4-(1-ethylimidazol-4-yl)oxan-4-ol (CID 130508654) is 4-(1-ethylimidazol-4-yl)oxan-4-ol.
What is the SMILES notation for 4-(1-ethylimidazol-4-yl)oxan-4-ol?
The canonical SMILES for 4-(1-ethylimidazol-4-yl)oxan-4-ol is CCn1cnc(C2(O)CCOCC2)c1.
What is the InChIKey of 4-(1-ethylimidazol-4-yl)oxan-4-ol?
The InChIKey is RSFVCCQUIWXFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-12-7-9(11-8-12)10(13)3-5-14-6-4-10/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-(1-ethylimidazol-4-yl)oxan-4-ol?
4-(1-ethylimidazol-4-yl)oxan-4-ol has a molecular weight of 196.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-4-yl)oxan-4-ol is sourced from PubChem (CID 130508654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).