1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone

C10H15N3O2 — CID 116587551

IUPAC1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)C1COCC1N
InChIInChI=1S/C10H15N3O2/c1-13-3-2-12-10(13)4-9(14)7-5-15-6-8(7)11/h2-3,7-8H,4-6,11H2,1H3
InChIKeyFVBLLBDGYIZVTK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.49
Rot. Bonds3

About 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone

1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 116587551) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID116587551
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)C1COCC1N
InChIInChI=1S/C10H15N3O2/c1-13-3-2-12-10(13)4-9(14)7-5-15-6-8(7)11/h2-3,7-8H,4-6,11H2,1H3
InChIKeyFVBLLBDGYIZVTK-UHFFFAOYSA-N
XLogP-0.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116583786
1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116587484
1-(2-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533280
tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
CID 103554079
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595774
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116587571
1-(1,4-dioxan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811960
1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 116587551) is 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)C1COCC1N.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is FVBLLBDGYIZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-3-2-12-10(13)4-9(14)7-5-15-6-8(7)11/h2-3,7-8H,4-6,11H2,1H3.
What are the key properties of 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 209.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 116587551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).