2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole

C8H12N2O2 — CID 141388655

IUPAC2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole
SMILESCOC1(c2ncc(C)[nH]2)COC1
InChIInChI=1S/C8H12N2O2/c1-6-3-9-7(10-6)8(11-2)4-12-5-8/h3H,4-5H2,1-2H3,(H,9,10)
InChIKeyYHCCQLOQICYSOB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.59
Rot. Bonds2

About 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole

2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole (PubChem CID 141388655) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole
PubChem CID141388655
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole
SMILESCOC1(c2ncc(C)[nH]2)COC1
InChIInChI=1S/C8H12N2O2/c1-6-3-9-7(10-6)8(11-2)4-12-5-8/h3H,4-5H2,1-2H3,(H,9,10)
InChIKeyYHCCQLOQICYSOB-UHFFFAOYSA-N
XLogP0.59
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole?
The IUPAC name of 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole (CID 141388655) is 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole is COC1(c2ncc(C)[nH]2)COC1.
What is the InChIKey of 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole?
The InChIKey is YHCCQLOQICYSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-3-9-7(10-6)8(11-2)4-12-5-8/h3H,4-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole?
2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole has a molecular weight of 168.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole is sourced from PubChem (CID 141388655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).