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

C9H11NO2 — CID 105422636

IUPAC1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)c1nocc1C1CCC1
InChIInChI=1S/C9H11NO2/c1-6(11)9-8(5-12-10-9)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyZFFVOTSMQLBHMO-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.14
Rot. Bonds2

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

1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone (PubChem CID 105422636) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone
PubChem CID105422636
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)c1nocc1C1CCC1
InChIInChI=1S/C9H11NO2/c1-6(11)9-8(5-12-10-9)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyZFFVOTSMQLBHMO-UHFFFAOYSA-N
XLogP2.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone (CID 105422636) is 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone is CC(=O)c1nocc1C1CCC1.
What is the InChIKey of 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is ZFFVOTSMQLBHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(11)9-8(5-12-10-9)7-3-2-4-7/h5,7H,2-4H2,1H3.
What are the key properties of 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone?
1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 165.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 105422636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).