1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone

C11H13NO2 — CID 46854040

IUPAC1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1oc(C2CC2)nc1C1CC1
InChIInChI=1S/C11H13NO2/c1-6(13)10-9(7-2-3-7)12-11(14-10)8-4-5-8/h7-8H,2-5H2,1H3
InChIKeyIMXOMGACRVHLJY-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone

1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone (PubChem CID 46854040) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone
PubChem CID46854040
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1oc(C2CC2)nc1C1CC1
InChIInChI=1S/C11H13NO2/c1-6(13)10-9(7-2-3-7)12-11(14-10)8-4-5-8/h7-8H,2-5H2,1H3
InChIKeyIMXOMGACRVHLJY-UHFFFAOYSA-N
XLogP2.63
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone (CID 46854040) is 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone is CC(=O)c1oc(C2CC2)nc1C1CC1.
What is the InChIKey of 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone?
The InChIKey is IMXOMGACRVHLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6(13)10-9(7-2-3-7)12-11(14-10)8-4-5-8/h7-8H,2-5H2,1H3.
What are the key properties of 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone?
1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dicyclopropyl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 46854040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).