2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole

C10H16N2O2 — CID 166757522

IUPAC2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
SMILESCC(OC1CCCCO1)c1ncc[nH]1
InChIInChI=1S/C10H16N2O2/c1-8(10-11-5-6-12-10)14-9-4-2-3-7-13-9/h5-6,8-9H,2-4,7H2,1H3,(H,11,12)
InChIKeyXGQLBYRXVPPTEZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.01
Rot. Bonds3

About 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole

2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole (PubChem CID 166757522) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
PubChem CID166757522
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
SMILESCC(OC1CCCCO1)c1ncc[nH]1
InChIInChI=1S/C10H16N2O2/c1-8(10-11-5-6-12-10)14-9-4-2-3-7-13-9/h5-6,8-9H,2-4,7H2,1H3,(H,11,12)
InChIKeyXGQLBYRXVPPTEZ-UHFFFAOYSA-N
XLogP2.01
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-2-yl)-2-(oxan-2-yloxy)ethanethiol
CID 57238441
2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
CID 59069780
2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
CID 10355007
2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
CID 173259383
2-(oxan-2-yloxy)propanoic acid
CID 542280
2-butan-2-yloxyoxane
CID 559028
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843
3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine
CID 59253241
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
S-[4-bromo-3-[1-(oxan-2-yloxy)ethyl]phenyl]thiohydroxylamine
CID 167090366

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole?
The IUPAC name of 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole (CID 166757522) is 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole?
The canonical SMILES for 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole is CC(OC1CCCCO1)c1ncc[nH]1.
What is the InChIKey of 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole?
The InChIKey is XGQLBYRXVPPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(10-11-5-6-12-10)14-9-4-2-3-7-13-9/h5-6,8-9H,2-4,7H2,1H3,(H,11,12).
What are the key properties of 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole?
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole has a molecular weight of 196.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole is sourced from PubChem (CID 166757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).