2-imidazol-1-yl-1-(oxan-4-yl)ethanone

C10H14N2O2 — CID 130863688

IUPAC2-imidazol-1-yl-1-(oxan-4-yl)ethanone
SMILESO=C(Cn1ccnc1)C1CCOCC1
InChIInChI=1S/C10H14N2O2/c13-10(7-12-4-3-11-8-12)9-1-5-14-6-2-9/h3-4,8-9H,1-2,5-7H2
InChIKeyVELSYPIWKBTWJN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.88
Rot. Bonds3

About 2-imidazol-1-yl-1-(oxan-4-yl)ethanone

2-imidazol-1-yl-1-(oxan-4-yl)ethanone (PubChem CID 130863688) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(oxan-4-yl)ethanone
PubChem CID130863688
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-imidazol-1-yl-1-(oxan-4-yl)ethanone
SMILESO=C(Cn1ccnc1)C1CCOCC1
InChIInChI=1S/C10H14N2O2/c13-10(7-12-4-3-11-8-12)9-1-5-14-6-2-9/h3-4,8-9H,1-2,5-7H2
InChIKeyVELSYPIWKBTWJN-UHFFFAOYSA-N
XLogP0.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 133266485
[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 72850320
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
CID 130585938
1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 97084850
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
4-(imidazol-1-ylmethyl)oxan-4-ol
CID 126856777
1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone
CID 174883064
1-(oxan-4-yl)-2-pyrimidin-2-ylethanone
CID 116833106
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(oxan-4-yl)ethanone (CID 130863688) is 2-imidazol-1-yl-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(oxan-4-yl)ethanone is O=C(Cn1ccnc1)C1CCOCC1.
What is the InChIKey of 2-imidazol-1-yl-1-(oxan-4-yl)ethanone?
The InChIKey is VELSYPIWKBTWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(7-12-4-3-11-8-12)9-1-5-14-6-2-9/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 2-imidazol-1-yl-1-(oxan-4-yl)ethanone?
2-imidazol-1-yl-1-(oxan-4-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(oxan-4-yl)ethanone is sourced from PubChem (CID 130863688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).