1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane

C10H15NO2 — CID 178176268

IUPAC1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C8H9NO2.C2H6/c1-5(10)7-4-8(11-9-7)6-2-3-6;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyNAOJGFUCGVXKQH-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.78
Rot. Bonds2

About 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane

1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane (PubChem CID 178176268) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
PubChem CID178176268
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C8H9NO2.C2H6/c1-5(10)7-4-8(11-9-7)6-2-3-6;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyNAOJGFUCGVXKQH-UHFFFAOYSA-N
XLogP2.78
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane?
The IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane (CID 178176268) is 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane.
What is the SMILES notation for 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane?
The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane is CC.CC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane?
The InChIKey is NAOJGFUCGVXKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-5(10)7-4-8(11-9-7)6-2-3-6;1-2/h4,6H,2-3H2,1H3;1-2H3.
What are the key properties of 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane?
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane has a molecular weight of 181.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane is sourced from PubChem (CID 178176268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).