1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone

C11H15NO2 — CID 105422883

IUPAC1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)c1nocc1C1CCCCC1
InChIInChI=1S/C11H15NO2/c1-8(13)11-10(7-14-12-11)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyRFTZLDGFRODVRJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.92
Rot. Bonds2

About 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone

1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone (PubChem CID 105422883) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone
PubChem CID105422883
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)c1nocc1C1CCCCC1
InChIInChI=1S/C11H15NO2/c1-8(13)11-10(7-14-12-11)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyRFTZLDGFRODVRJ-UHFFFAOYSA-N
XLogP2.92
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone (CID 105422883) is 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone is CC(=O)c1nocc1C1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is RFTZLDGFRODVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(13)11-10(7-14-12-11)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone?
1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 105422883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).