2-(3-propylimidazol-4-yl)oxan-4-ol

C11H18N2O2 — CID 66129854

IUPAC2-(3-propylimidazol-4-yl)oxan-4-ol
SMILESCCCn1cncc1C1CC(O)CCO1
InChIInChI=1S/C11H18N2O2/c1-2-4-13-8-12-7-10(13)11-6-9(14)3-5-15-11/h7-9,11,14H,2-6H2,1H3
InChIKeyRCJCFGQVSIGFFU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.51
Rot. Bonds3

About 2-(3-propylimidazol-4-yl)oxan-4-ol

2-(3-propylimidazol-4-yl)oxan-4-ol (PubChem CID 66129854) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(3-propylimidazol-4-yl)oxan-4-ol.

Molecular Properties

Compound Name2-(3-propylimidazol-4-yl)oxan-4-ol
PubChem CID66129854
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(3-propylimidazol-4-yl)oxan-4-ol
SMILESCCCn1cncc1C1CC(O)CCO1
InChIInChI=1S/C11H18N2O2/c1-2-4-13-8-12-7-10(13)11-6-9(14)3-5-15-11/h7-9,11,14H,2-6H2,1H3
InChIKeyRCJCFGQVSIGFFU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxiran-2-yl)-1-propylimidazole
CID 66130060
5-(3-propylimidazol-4-yl)oxolan-2-one
CID 103439721
N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine
CID 66132492
N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine
CID 79367793
2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79367798
(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948434
2-(3-propylimidazol-4-yl)oxane-3-carbonitrile
CID 79368493
(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948826
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane
CID 66234913
5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole
CID 66130852
N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712211
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylimidazol-4-yl)oxan-4-ol?
The IUPAC name of 2-(3-propylimidazol-4-yl)oxan-4-ol (CID 66129854) is 2-(3-propylimidazol-4-yl)oxan-4-ol.
What is the SMILES notation for 2-(3-propylimidazol-4-yl)oxan-4-ol?
The canonical SMILES for 2-(3-propylimidazol-4-yl)oxan-4-ol is CCCn1cncc1C1CC(O)CCO1.
What is the InChIKey of 2-(3-propylimidazol-4-yl)oxan-4-ol?
The InChIKey is RCJCFGQVSIGFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-4-13-8-12-7-10(13)11-6-9(14)3-5-15-11/h7-9,11,14H,2-6H2,1H3.
What are the key properties of 2-(3-propylimidazol-4-yl)oxan-4-ol?
2-(3-propylimidazol-4-yl)oxan-4-ol has a molecular weight of 210.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylimidazol-4-yl)oxan-4-ol is sourced from PubChem (CID 66129854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).