1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one

C11H16N2O2 — CID 12955456

IUPAC1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C11H16N2O2/c1-8(14)7-10-12-11(15-13-10)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyXYXOAXAKPSWCOT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one

1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one (PubChem CID 12955456) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one
PubChem CID12955456
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C11H16N2O2/c1-8(14)7-10-12-11(15-13-10)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyXYXOAXAKPSWCOT-UHFFFAOYSA-N
XLogP2.25
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one (CID 12955456) is 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one is CC(=O)Cc1noc(C2CCCCC2)n1.
What is the InChIKey of 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The InChIKey is XYXOAXAKPSWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)7-10-12-11(15-13-10)9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one?
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one is sourced from PubChem (CID 12955456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).